Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.770, 113.450, 174.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.650 |
R-factor | 0.1419 |
Rwork | 0.140 |
R-free | 0.17060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.030 |
RMSD bond angle | 2.482 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.140 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.403 | |
Total number of observations | 121936 | |
Number of reflections | 228125 | |
<I/σ(I)> | 8.8 | 1.8 |
Completeness [%] | 95.2 | 92.4 |
Redundancy | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 16-20% PEG 4000, 20% MPD, 0.1 M sodium citrate pH 5.6 |