Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.240, 89.560, 268.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.600 - 2.900 |
Rwork | 0.237 |
R-free | 0.28140 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 134.475 | 3.010 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 42886 | 4403 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 100.0 | |
Redundancy | 80 | |
CC(1/2) | 0.998 | 0.528 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 25% PEG 3350, 100 mM Citric acid pH 3.5 |