8SVU
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.275, 89.778, 106.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.800 - 2.890 |
R-factor | 0.2061 |
Rwork | 0.204 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.551 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.680 | 3.070 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.096 | 0.893 |
Rmeas | 0.104 | 0.969 |
Rpim | 0.040 | 0.372 |
Total number of observations | 124670 | 19335 |
Number of reflections | 18765 | 2923 |
<I/σ(I)> | 13.1 | 2.2 |
Completeness [%] | 99.6 | |
Redundancy | 6.6 | 6.6 |
CC(1/2) | 0.999 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM Bis-Tris pH 6.0-7.0, 9-16% (v/v) 2-Methyl-2,4-pentanediol |