2W06
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-12-12 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.643, 72.620, 71.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 200.000 - 2.040 |
Rwork | 0.205 |
R-free | 0.23370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE CDK2 STRUCTURE |
RMSD bond length | 0.006 |
RMSD bond angle | 1.310 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.160 | 2.150 |
High resolution limit [Å] | 2.050 | 2.040 |
Rmerge | 0.050 | 0.290 |
Number of reflections | 17949 | |
<I/σ(I)> | 15.6 | 4.3 |
Completeness [%] | 97.5 | 91.7 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |