7P18
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Sterolibacterium denitrificans in complex with 1,4-androstadiene-3,17-dione
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 130.369, 130.369, 139.742 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.710 - 1.840 |
R-factor | 0.18514 |
Rwork | 0.185 |
R-free | 0.21401 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c3y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.523 |
Data reduction software | CrysalisPro |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.710 | 1.890 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.113 | 0.719 |
Rmeas | 0.070 | 0.486 |
Rpim | 0.057 | 0.753 |
Number of reflections | 119085 | 5860 |
<I/σ(I)> | 1.6 | |
Completeness [%] | 99.5 | 98.7 |
Redundancy | 6.9 | 6.7 |
CC(1/2) | 0.979 | 0.515 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 25% (w/v) PEG 3350 |