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 |
