Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Detector technology | CCD |
Collection date | 2012-01-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.021, 144.589, 216.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.000 - 2.800 |
Rwork | 0.227 |
R-free | 0.26720 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.161 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.150 | 1.231 |
Number of reflections | 70984 | |
Completeness [%] | 99.1 | 99.8 |
Redundancy | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 2000,potassium sodium tartrate, pH 6.5, VAPOR DIFFUSION, temperature 293K |