Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.060, 44.390, 78.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.650 - 1.250 |
R-factor | 0.1805 |
Rwork | 0.180 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.650 | 1.300 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmeas | 4.700 | 18.200 |
Number of reflections | 36386 | 3809 |
<I/σ(I)> | 23.73 | |
Completeness [%] | 99.3 | 95.2 |
Redundancy | 6.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 16.5 % PEG 3350, 0.1 M sodium nitrate, 8 % ethylene glycol |