Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.374, 99.267, 108.677 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.665 - 2.312 |
R-factor | 0.2209 |
Rwork | 0.217 |
R-free | 0.28850 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.037 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.084 | 0.192 |
Number of reflections | 26386 | |
<I/σ(I)> | 35.7 | |
Completeness [%] | 93.8 | |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% (w/v) PEG 10000, 5% MPD, 0.1M HEPES pH7.5 |