7TYB
Salicylate Adenylate PchD from Pseudomonas aeruginosa containing salicyl-AMS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1271 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.064, 44.834, 67.199 |
Unit cell angles | 90.00, 99.09, 90.00 |
Refinement procedure
Resolution | 37.010 - 2.110 |
R-factor | 0.1717 |
Rwork | 0.168 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mdb |
RMSD bond length | 0.017 |
RMSD bond angle | 1.650 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.480 | 2.180 |
High resolution limit [Å] | 2.110 | 2.110 |
Rpim | 0.091 | 0.426 |
Number of reflections | 29938 | 2235 |
<I/σ(I)> | 7.5 | 2.2 |
Completeness [%] | 99.1 | 90.5 |
Redundancy | 5.5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 0.2 M ammonium acetate, 0.1 M MES pH 5.4, 0.03 M ammonium chloride, 20% PEG 8000 |