5MES
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
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 | 2016-04-15 |
Detector | DECTRIS PILATUS3 X 1M |
Wavelength(s) | 0.97626 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.470, 40.330, 102.840 |
Unit cell angles | 90.00, 126.11, 90.00 |
Refinement procedure
Resolution | 81.020 - 2.240 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.020 | 2.300 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.060 | 0.709 |
Rmeas | 0.083 | |
Rpim | 0.057 | |
Number of reflections | 27132 | |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.4 | |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 8K 10%w/v, PEG 1500 10%w/v |