7JLJ
Crystal structure of Bacillus subtilis UppS in complex with clomiphene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97952 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 58.501, 58.501, 161.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.410 - 3.100 |
R-factor | 0.2264 |
Rwork | 0.221 |
R-free | 0.27070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jli |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.410 | 47.410 | 3.310 |
High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
Rmerge | 0.316 | 0.043 | 1.457 |
Rmeas | 0.335 | 0.046 | 1.539 |
Rpim | 0.109 | 0.017 | 0.491 |
Total number of observations | 50706 | 2131 | 9264 |
Number of reflections | 5598 | 294 | 973 |
<I/σ(I)> | 8 | 28.4 | 2.2 |
Completeness [%] | 99.9 | 99.1 | 99.9 |
Redundancy | 9.1 | 7.2 | 9.5 |
CC(1/2) | 0.993 | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | PEG 3000, NaCitrate |