5MEV
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-16 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.514, 39.705, 103.515 |
| Unit cell angles | 90.00, 125.74, 90.00 |
Refinement procedure
| Resolution | 26.450 - 2.940 |
| R-factor | 0.229 |
| Rwork | 0.225 |
| R-free | 0.30248 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.329 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.900 | 3.010 |
| High resolution limit [Å] | 2.940 | 2.940 |
| Rmerge | 0.134 | 0.637 |
| Rmeas | 0.195 | |
| Rpim | 0.128 | |
| Number of reflections | 11919 | |
| <I/σ(I)> | 6.2 | 1.1 |
| Completeness [%] | 98.4 | 89 |
| Redundancy | 3.2 | 3.1 |
| CC(1/2) | 0.974 | 0.375 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 8K 10%w/v, PEG 1500 10%w/v |
