3DVX
Crystal structure of reduced DsbA3 from Neisseria meningitidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 159.979, 159.979, 76.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 2.800 |
R-factor | 0.22964 |
Rwork | 0.227 |
R-free | 0.28605 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dvw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.177 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 12602 | |
<I/σ(I)> | 6.3 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.2 M Ammonium sulfate, 0.25 M Sodium malonate, 0.1 M MES pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K |