3QD9
C72S/C353S mutant of Trypanosoma brucei QSOX containing an interdomain disulfide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9769 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.040, 120.310, 106.220 |
Unit cell angles | 90.00, 105.44, 90.00 |
Refinement procedure
Resolution | 38.107 - 3.300 |
R-factor | 0.196 |
Rwork | 0.190 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qcp |
RMSD bond length | 0.015 |
RMSD bond angle | 1.828 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_629)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.095 | 0.355 |
Number of reflections | 29261 | |
<I/σ(I)> | 12.9 | 5 |
Completeness [%] | 98.8 | 98.9 |
Redundancy | 5.1 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% w/v PEG 3350, 0.2 M sodium sulfate, 0.5% w/v polyvinylpyrrolidone K15, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |