3V98
S663D Stable-5-LOX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.410, 202.503, 76.971 |
Unit cell angles | 90.00, 109.82, 90.00 |
Refinement procedure
Resolution | 41.491 - 2.070 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.691 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.380 | 49.380 | 2.190 |
High resolution limit [Å] | 2.070 | 3.360 | 2.070 |
Number of reflections | 96485 | ||
Completeness [%] | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 10% tacsimate , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |