Table 1.

Statistics for crystal data collection and refinement

Data collection and refinement statistics
CrystalWT rat-ERK2 SCH772984G167D rat-ERK2 SCH772984
PDB code5HD45HD7
Data collection
 Wavelength1.000011.54178
 Space groupP21212P21212
 Unit cell parameters (Embedded Image, °)a = 71.5, b = 91.4, c = 63.2a = 71.5, b = 91.4, c = 63.2
α,β,γ = 90.0°α,β,γ = 90.0°
 Resolution range (Embedded Image)23.07 – 1.4528.03 – 1.69
(1.50 – 1.45)(1.70 – 1.69)
 Multiplicity4.4 (3.9)9.7 (10.0)
 Unique reflections72,23544,558
 Rmerge (%)4.9 (52.3)5.1 (60.4)
 Completeness (%)97.8 (94.7)95.7 (91.4)
 I/σ(I)24.0 (2.5)27.6 (3.7)
Refinement
 Rwork/Rfree (%)17.6/19.918.1/20.7
 No. of protein atoms5,6735,812
 No. of water276274
 No. of heteroatoms390377
 R.m.s.d bonds (Embedded Image)0.0090.010
 R.m.s.d angles (°)1.01.0