5JSB
Crystal structure of Mcl1-inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.917, 92.246, 162.005 |
Unit cell angles | 90.00, 92.39, 90.00 |
Refinement procedure
Resolution | 161.860 - 2.740 |
R-factor | 0.19296 |
Rwork | 0.191 |
R-free | 0.23047 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | computation designed |
RMSD bond length | 0.018 |
RMSD bond angle | 1.987 |
Data reduction software | HKL-2000 (708) |
Data scaling software | HKL-2000 (708) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 161.860 | 2.840 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.094 | 0.800 |
<I/σ(I)> | 17.3 | 1.09 |
Completeness [%] | 95.5 | 61.2 |
Redundancy | 8 | 3.4 |
CC(1/2) | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 9.5 | 298 | 1.27 M sodium citrate, CAPS pH 10.5 or CHES pH 9.5 |