4WMT
STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-30 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 98.970, 136.300, 38.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.290 - 2.350 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4OQ6; 4MBP |
Data reduction software | XDS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.106 | 0.384 |
Rmeas | 0.114 | 0.042 |
Total number of observations | 152847 | |
Number of reflections | 22069 | 296 |
<I/σ(I)> | 14.77 | 4.8 |
Completeness [%] | 98.2 | 84.9 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand |