3IXR
Crystal Structure of Xylella fastidiosa PrxQ C47S Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-03-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.549 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.973, 39.743, 99.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.830 - 1.600 |
R-factor | 0.19836 |
Rwork | 0.196 |
R-free | 0.24669 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e2y |
RMSD bond length | 0.028 |
RMSD bond angle | 2.354 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.700 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 19697 | |
<I/σ(I)> | 6.3 | 6.1 |
Completeness [%] | 98.0 | 95.46 |
Redundancy | 13.3 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Crystallized in presence of 10 mM DTT. The optimal condition was obtained with the reservoir solution comprising 0.1 M Hepes-NaOH (pH 7.5) and 20% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |