5ZVX
Crystal structure of K86A mutant of phosphomannose isomerase from Salmonella typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.190, 91.730, 116.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.580 - 1.700 |
R-factor | 0.1663 |
Rwork | 0.164 |
R-free | 0.20569 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h1m |
RMSD bond length | 0.019 |
RMSD bond angle | 1.918 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.580 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 43702 | |
<I/σ(I)> | 16.3 | |
Completeness [%] | 99.9 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.8 | 298 | 0.1 M Magnesium acetate tetrahydrate, 0.2 M Sodium cacodylate pH 6.8, 20% PEG 8000,5% dioxane |