3ZLO
Crystal structure of BCL-XL in complex with inhibitor (Compound 6)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-03 |
| Detector | RIGAKU RAXIS-IV |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.832, 67.832, 67.383 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.916 - 2.601 |
| R-factor | 0.1972 |
| Rwork | 0.193 |
| R-free | 0.28220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ZK6 CHAIN A |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.188 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.550 |
| Number of reflections | 5766 | |
| <I/σ(I)> | 0 | 3.5 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 2 M (NH4)2SO4, 0.5 M GUANADINE HCL, 0.1 M MES PH 6.0 |
