Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.322, 77.000, 137.258 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.600 - 2.450 |
R-factor | 0.2729 |
Rwork | 0.271 |
R-free | 0.30490 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.334 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.600 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.094 | 1.120 |
Number of reflections | 19008 | 962 |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 8.7 | 8.7 |
CC(1/2) | 0.998 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.3 | 291 | 50 mM Tris pH 7.3 and 40% MPD |