4BZD
Structure of CDK2 in complex with a benzimidazopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-19 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.456, 71.884, 72.291 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.970 - 1.830 |
| R-factor | 0.17492 |
| Rwork | 0.173 |
| R-free | 0.20402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL CDK2 STRUCTURE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.436 |
| Data reduction software | XDS (VERSION MAY 10 2010) |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.970 | 1.830 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.050 | 0.470 |
| Number of reflections | 23070 | |
| <I/σ(I)> | 17.1 | 1.5 |
| Completeness [%] | 92.2 | 61.9 |
| Redundancy | 4.44 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 12% PEG3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |
