Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9334 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.760, 80.760, 251.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.710 - 2.600 |
R-factor | 0.216 |
Rwork | 0.208 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2F83 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.770 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.870 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.087 | 0.602 |
Number of reflections | 23616 | |
<I/σ(I)> | 20.7 | 2.8 |
Completeness [%] | 99.3 | |
Redundancy | 8.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | 0.1 M SODIUM HEPES AND 22% (V/V) PEG 1000, PH 7.5, EVAPORATION, TEMPERATURE 293K |