Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97876 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 104.267, 104.267, 145.769 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.868 - 3.114 |
R-factor | 0.1977 |
Rwork | 0.192 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2obl |
RMSD bond length | 0.017 |
RMSD bond angle | 1.466 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.300 |
High resolution limit [Å] | 3.100 | 3.110 |
Rmerge | 0.160 | 0.750 |
Number of reflections | 16927 | |
<I/σ(I)> | 17.78 | 5.23 |
Completeness [%] | 99.3 | 96.5 |
Redundancy | 9.43 | 8.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 296 | 0.1M Bicine pH8.6;1.2M Ammonium sulphate |