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 | 100.211, 114.658, 174.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.1445 |
Rwork | 0.141 |
R-free | 0.17490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.026 |
RMSD bond angle | 2.183 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.800 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 140763 | |
<I/σ(I)> | 22.5 | 4.4 |
Completeness [%] | 98.9 | 97.9 |
Redundancy | 7.3 |
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 |