5VYO
The complex structure of Burkholderia pseudomallei DsbA bound to a peptide
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 | 2016-08-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 1 |
Unit cell lengths | 56.794, 59.684, 71.759 |
Unit cell angles | 89.49, 67.79, 81.03 |
Refinement procedure
Resolution | 41.309 - 2.490 |
R-factor | 0.2001 |
Rwork | 0.197 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2d |
RMSD bond length | 0.002 |
RMSD bond angle | 0.487 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.870 | 58.870 | 2.620 |
High resolution limit [Å] | 2.490 | 7.870 | 2.490 |
Rmerge | 0.111 | 0.040 | 0.454 |
Rmeas | 0.129 | 0.047 | 0.529 |
Rpim | 0.066 | 0.024 | 0.270 |
Number of reflections | 29113 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 96.6 | 97.1 | 87.7 |
Redundancy | 3.8 | 3.8 | 3.7 |
CC(1/2) | 0.993 | 0.998 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES, pH 7.0, 0.5% v/v Jeffamine ED-2001, 1.74 M sodium malonate, pH 7.0 |