4K2D
Crystal structure of Burkholderia Pseudomallei DsbA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.320, 62.300, 68.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.921 - 1.900 |
R-factor | 0.1603 |
Rwork | 0.159 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.303 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.174 | 44.921 | 2.000 |
High resolution limit [Å] | 1.500 | 6.010 | 1.900 |
Rmerge | 0.037 | 0.732 | |
Total number of observations | 4611 | 20696 | |
Number of reflections | 20726 | ||
<I/σ(I)> | 10.1 | 16.6 | 1 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 6.8 | 6.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.29 M sodium dihydrogen phosphate, 1.0 M potassium hydrogen phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |