Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 41 |
Unit cell lengths | 65.796, 65.796, 135.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.920 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.23200 |
Structure solution method | SAD |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.059 | 0.059 |
Number of reflections | 43643 | |
<I/σ(I)> | 42.9 | |
Completeness [%] | 94.8 | 99.8 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.7M AMMONIUM TARTRATE DIBASIC PH 7.0, 2-4% W/V PEG 4000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K |