Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-10 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.296, 172.976, 85.779 |
Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.750 |
R-factor | 0.269 |
Rwork | 0.268 |
R-free | 0.30300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vgb |
RMSD bond length | 0.023 |
RMSD bond angle | 1.790 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.080 | 0.550 |
Number of reflections | 52721 | |
<I/σ(I)> | 5.6 | 1.9 |
Completeness [%] | 93.7 | 91.3 |
Redundancy | 2.2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | pH 6.4 |