Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2001-04-22 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.104, 188.766, 117.817 |
Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
Resolution | 28.700 - 1.780 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1QLA |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.750 |
High resolution limit [Å] | 1.780 |
Rmerge | 0.100 |
Number of reflections | 317968 |
<I/σ(I)> | 16.5 |
Completeness [%] | 92.3 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | pH 6.00 |