Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-17 |
Detector | MARRESEARCH |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.502, 114.630, 174.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.027 |
RMSD bond angle | 2.189 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.880 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.079 | 0.600 |
Number of reflections | 149064 | |
<I/σ(I)> | 10.5 | 1.7 |
Completeness [%] | 95.9 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16-20% PEG 4000, 20% MPD, 0.1 M SODIUM CITRATE, PH 5.6 |