Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 209.960, 448.860, 624.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.907 - 3.200 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.24490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.574 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 3.280 |
High resolution limit [Å] | 3.200 | 14.310 | 3.200 |
Rmerge | 0.285 | 0.016 | 0.016 |
Number of reflections | 956933 | ||
<I/σ(I)> | 6.51 | 41.8 | 1.06 |
Completeness [%] | 99.7 | 90.4 | 99.8 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 292 | 0.1-0.2 M Arginine-HCl, 0.1M Tris-HCl pH 7.6, 2.5% PEG-20K, 7-12% MPD, 0.5mM BME, vapor diffusion, temperature 292K |