3S6O
Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 51.410, 165.660, 165.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cl6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.596 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.074 | 0.032 | 0.286 |
Number of reflections | 139861 | 1626 | 9862 |
<I/σ(I)> | 14.58 | 29.2 | 4 |
Completeness [%] | 97.3 | 89.4 | 93.8 |
Redundancy | 3.45 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 20% PEG3350, 0.2 M Ammonium formate, protein at 110 mg/mL., pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |