7TZ4
Salicylate Adenylate PchD from Pseudomonas aeruginosa containing 4-cyanosalicyl-AMS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.060, 44.854, 66.615 |
Unit cell angles | 90.00, 99.18, 90.00 |
Refinement procedure
Resolution | 36.930 - 1.690 |
R-factor | 0.1522 |
Rwork | 0.151 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tyb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.063 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.930 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rpim | 0.062 | 0.526 |
Number of reflections | 56335 | 2309 |
<I/σ(I)> | 8.6 | 2 |
Completeness [%] | 97.3 | |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.2 M ammonium acetate, 0.1 M MES pH 5.6, 0.03 M ammonium chloride, 26% PEG 8000 |