2QLQ
Crystal structure of SRC kinase domain with covalent inhibitor RL3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 |
Unit cell lengths | 41.940, 63.530, 74.500 |
Unit cell angles | 78.28, 90.37, 89.45 |
Refinement procedure
Resolution | 72.930 - 2.330 |
R-factor | 0.21508 |
Rwork | 0.212 |
R-free | 0.26673 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.770 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.944 | 52.940 | 2.460 |
High resolution limit [Å] | 2.330 | 7.370 | 2.330 |
Rmerge | 0.060 | 0.022 | 0.407 |
Number of reflections | 29166 | ||
<I/σ(I)> | 11.6 | 21.2 | 1.8 |
Completeness [%] | 90.7 | 93.8 | 85.9 |
Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 16% Ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |