3QKD
Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-03-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.598, 74.484, 87.828 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.020 |
| R-factor | 0.19384 |
| Rwork | 0.192 |
| R-free | 0.23093 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yxj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.152 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 4.350 | 2.020 |
| Rmerge | 0.072 | 0.036 | 0.499 |
| Number of reflections | 27934 | ||
| <I/σ(I)> | 22.9 | 45.15 | 3.15 |
| Completeness [%] | 96.5 | 99.1 | 55.8 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.1M Sodium Citrate, 0.1M Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
