Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-06-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 |
Unit cell lengths | 71.375, 71.375, 101.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.370 - 2.070 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.370 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 30912 | |
Completeness [%] | 99.9 | 99.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 296 | 1.5 M Li2SO4, 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, temperature 296K |