Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.778, 115.981, 174.844 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.1418 |
Rwork | 0.139 |
R-free | 0.17120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.029 |
RMSD bond angle | 2.269 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.650 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 144966 | |
<I/σ(I)> | 16.4 | 2.8 |
Completeness [%] | 99.9 | |
Redundancy | 4.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% MPD, pH 5.6 0.1 M sodium citrate |