3INQ
Crystal structure of BCL-XL in complex with W1191542
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-05-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.588, 68.214, 71.401 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.630 - 2.000 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fdl |
RMSD bond length | 0.013 |
RMSD bond angle | 1.390 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.086 | 0.867 |
Number of reflections | 21237 | |
<I/σ(I)> | 31.4 | 2.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.8 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.2M Calcium Acetate, 10%(w/v) PEG8000, 0.1M Imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |