3WIY
Crystal structure of Mcl-1 in complex with compound 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 37.288, 65.498, 97.773 |
Unit cell angles | 101.92, 89.83, 99.26 |
Refinement procedure
Resolution | 36.810 - 2.150 |
R-factor | 0.21419 |
Rwork | 0.211 |
R-free | 0.28293 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pqk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.443 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.150 | 2.090 |
Number of reflections | 46298 | |
<I/σ(I)> | 12.1 | 1.8 |
Completeness [%] | 95.0 | 95.7 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-tris pH 6.5, 22% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |