4ACM
CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-07 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.430, 71.810, 72.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.870 - 1.630 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE CDK2 MODEL |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.880 | 1.710 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 26915 | |
<I/σ(I)> | 8.8 | 2.2 |
Completeness [%] | 74.3 | 8.9 |
Redundancy | 5.4 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |