8EKX
Structure of MBP-Mcl-1 in complex with MIK665
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.362, 136.889, 38.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.440 - 1.550 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wms |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP (11.9.02) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.445 | 1.577 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.036 | 0.602 |
Number of reflections | 75758 | 3618 |
<I/σ(I)> | 24.7 | 2.3 |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 6.4 | |
CC(1/2) | 1.000 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 30% (w/v) PEG 3350, 0.1 M magnesium formate |