3REM
Structure of the Isochorismate-Pyruvate Lyase from Pseudomonas aerugionsa with Bound Salicylate and Pyruvate
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 | 2010-04-30 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.316, 60.254, 60.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.710 - 1.950 |
| R-factor | 0.23665 |
| Rwork | 0.231 |
| R-free | 0.29084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h9d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.211 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072 & PHENIX 1.7-650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.710 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 12438 | |
| <I/σ(I)> | 15.4 | 5.2 |
| Completeness [%] | 95.6 | 97.1 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.2 M lithium sulfate, 0.1 M sodium acetate, 6% glycerol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
