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 |