7ER7
Crystal structure of hyman Biliverdin IX-beta reductase B with Tamibarotene (A80)
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 | 82.253, 117.859, 42.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.900 - 1.700 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1he5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.928 |
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 | 1.759 |
High resolution limit [Å] | 1.698 | 1.698 |
Rmerge | 0.095 | 0.406 |
Number of reflections | 45334 | 45334 |
<I/σ(I)> | 11.65 | |
Completeness [%] | 98.5 | |
Redundancy | 10.9 | |
CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 1.9M-2.0M Ammonium sulfate, 0.1M Bis-tris (pH 6.5) |