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 | 2006-06-21 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.120, 110.700, 94.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.120 - 2.800 |
R-factor | 0.233 |
Rwork | 0.230 |
R-free | 0.29400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.348 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 10697 | |
<I/σ(I)> | 15.05 | 3.8 |
Completeness [%] | 94.9 | 100 |
Redundancy | 3.6 | 3.68 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.1M BISTRIS PH 5.5, 0.12M AMAC, 11% PEG 10K |