Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 254.246, 246.857, 113.346 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.850 - 3.000 |
R-factor | 0.2595 |
Rwork | 0.259 |
R-free | 0.28440 |
Structure solution method | SIRAS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.009 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS (1.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.190 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.104 | |
Number of reflections | 138965 | 21736 |
<I/σ(I)> | 12.8 | 2.2 |
Completeness [%] | 97.9 | 92 |
Redundancy | 4.8 | |
CC(1/2) | 0.950 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.7 | 298 | NaCitrate, Hepes, pH 7.7 |