Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-18 |
Detector | MARRESEARCH |
Wavelength(s) | 1.00801 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.343, 114.851, 174.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.025 |
RMSD bond angle | 2.141 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.000 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 119529 | |
<I/σ(I)> | 13 | 2.2 |
Completeness [%] | 99.3 | 94.4 |
Redundancy | 4.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% MPD, 0.1 M sodium citrate pH 7.6 |