7JGV
CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.324, 56.256, 117.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.180 - 2.050 |
R-factor | 0.1921 |
Rwork | 0.189 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3inq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.358 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.180 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 17473 | 1343 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.7 | |
Redundancy | 6 | |
CC(1/2) | 0.995 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate (pH 5.0) 10% PEG MME 2000 10% ethanol |