6LY4
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97892 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.543, 55.738, 94.396 |
Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
Resolution | 41.600 - 1.680 |
R-factor | 0.1567 |
Rwork | 0.155 |
R-free | 0.18930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kpa |
RMSD bond length | 0.015 |
RMSD bond angle | 1.405 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 57404 | 57404 |
<I/σ(I)> | 34.294 | |
Completeness [%] | 100.0 | |
Redundancy | 6.7 | |
CC(1/2) | 0.720 | 0.715 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 10% w/v PEG 20000, 20% v/v PEG MME 550, 0.03 M of each ethylene glycol (0.3M diethyleneglycol, 0.3M triethyleneglycol, 0.3M tetraethyleneglycol, 0.3 M pentaethyleneglycol), 0.1M MES/imidazole pH 6.5 |