5KU9
Crystal structure of MCL1 with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.381, 60.647, 69.087 |
| Unit cell angles | 90.00, 121.15, 90.00 |
Refinement procedure
| Resolution | 44.390 - 2.200 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g35 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.390 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.045 | 0.202 |
| Number of reflections | 15285 | |
| <I/σ(I)> | 25.8 | 9 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 30% PEG 4000, 0.1 M Tris |
