3RET
Salicylate and Pyruvate Bound Structure of the Isochorismate-Pyruvate Lyase K42E Mutant from Pseudomonas aerugionsa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 46.144, 57.313, 60.334 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.890 - 1.790 |
| R-factor | 0.21357 |
| Rwork | 0.208 |
| R-free | 0.26403 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h9d |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.874 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110 & PHENIX 1.7-650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.890 | 1.840 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 13690 | |
| <I/σ(I)> | 5.7 | 2 |
| Completeness [%] | 97.2 | 97.9 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.6 | 298 | 0.004 M gly-gly, 0.100 M sodium acetate, 12% glycerol, pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
