6XHK
Crystal structure of S. aureus TarJ in complex with NADPH
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 | 2017-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 99.237, 99.237, 268.757 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.794 - 3.000 |
R-factor | 0.2079 |
Rwork | 0.205 |
R-free | 0.26170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ilk |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.794 | 3.107 |
High resolution limit [Å] | 3.000 | 3.000 |
Rpim | 0.044 | 0.765 |
Number of reflections | 16503 | 1613 |
<I/σ(I)> | 17.22 | 1.42 |
Completeness [%] | 99.8 | 99.94 |
Redundancy | 18.9 | |
CC(1/2) | 0.998 | 0.576 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 1.1 M ammonium phosphate monobasic, 0.1 M sodium citrate pH 5.6, 5 mM NADPH |