7ER8
Crystal structure of human Biliverdin IX-beta reductase B with Sulfasalazine (SAS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97942 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 82.160, 117.367, 41.606 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.750 - 1.450 |
R-factor | 0.1664 |
Rwork | 0.166 |
R-free | 0.19910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1he5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.470 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 (1.16_3549) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.498 |
High resolution limit [Å] | 1.446 | 1.446 |
Rmerge | 0.097 | 0.452 |
Number of reflections | 72377 | 6896 |
<I/σ(I)> | 15.11 | |
Completeness [%] | 99.4 | |
Redundancy | 9.8 | |
CC(1/2) | 0.999 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 1.9-2.0M Ammonium sulfate, 0.1M Bis-tris (pH 6.5) |