Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97931 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.615, 212.682, 131.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.530 - 2.676 |
R-factor | 0.2042 |
Rwork | 0.201 |
R-free | 0.27010 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.110 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.530 | 2.790 |
High resolution limit [Å] | 2.670 | 2.670 |
Rmerge | 0.058 | 0.131 |
Number of reflections | 15048 | |
<I/σ(I)> | 18.8 | 14.8 |
Completeness [%] | 99.6 | 97.3 |
Redundancy | 6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 19% PEG 6000, 0.1 M sodium citrate, pH 5.3 |