Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1 |
Spacegroup name | H 3 |
Unit cell lengths | 67.205, 67.205, 127.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.870 - 1.730 |
R-factor | 0.1871 |
Rwork | 0.186 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2P92 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.033 | 0.359 |
Number of reflections | 22209 | |
<I/σ(I)> | 17.8 | 3.35 |
Completeness [%] | 99.2 | 99.5 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 31% PEG400, 0.2M Magnesium chloride, 0.1M HEPES, pH7.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |