3PXF
CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-10 |
Detector | RIGAKU |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.010, 69.450, 72.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 1.800 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pw2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.199 | 0.035 |
Number of reflections | 24998 | |
<I/σ(I)> | 21 | 3.8 |
Completeness [%] | 98.5 | 96.6 |
Redundancy | 3.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2, 5 mM ANS, 15% (v/v) JEFFAMINE ED-2001, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |