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 | 2009-05-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.580, 114.920, 174.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.690 |
R-factor | 0.1407 |
Rwork | 0.139 |
R-free | 0.16460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.029 |
RMSD bond angle | 2.474 |
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] | 95.970 | 1.780 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.084 | 0.370 |
Number of reflections | 225305 | |
<I/σ(I)> | 10.3 | 2.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 4000, 20% MPD, 25 mM NaCl, 0.1 M sodium citrate, pH 5.6 |