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 | 2010-12-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.008 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 210.240, 451.440, 621.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.748 - 3.000 |
R-factor | 0.2198 |
Rwork | 0.218 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.427 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.748 | 49.748 | 3.080 |
High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
Rmerge | 0.274 | 0.016 | 0.016 |
Number of reflections | 1142658 | 13178 | 74901 |
<I/σ(I)> | 7.21 | 28.16 | 1.1 |
Completeness [%] | 98.0 | 95 | 87.3 |
Redundancy | 5.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 292 | 0.1-0.2M Arginine-HCl, 0.1M Tris-HCl pH 7.6, 2.5% PEG-20K, 7-12% MPD, 0.5mM BME, VAPOR DIFFUSION, temperature 292K |