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 | 2012-05-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0050 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 53.008, 161.759, 169.018 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.27872 |
Rwork | 0.277 |
R-free | 0.30221 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.730 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.104 | 0.770 |
Number of reflections | 20898 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 64.1 | |
Redundancy | 7.5 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 50mM HEPES pH7.0, 3.5M sodium formate |