3ZK6
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Collection date | 2006-06-20 |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.200, 65.200, 117.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.103 - 2.480 |
| R-factor | 0.2215 |
| Rwork | 0.221 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1PQ1 CHAIN A. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.312 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.090 | 0.900 |
| Number of reflections | 17277 | |
| <I/σ(I)> | 16.62 | 2.58 |
| Completeness [%] | 99.4 | 94.2 |
| Redundancy | 7.45 | 7.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.2 M (NH4)2 SO4, 0.1 M BIS TRIS, PH 5.5 |
