Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BL19 |
Synchrotron site | ESRF |
Beamline | BL19 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 1996-04-15 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.905 |
Spacegroup name | P 65 |
Unit cell lengths | 84.890, 84.890, 169.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.760 - 2.400 |
R-factor | 0.1521 |
Rwork | 0.151 |
R-free | 0.17300 |
Structure solution method | MIR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | DAREFI |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.670 | |
Number of reflections | 25724 | |
<I/σ(I)> | 14 | 1.5 |
Completeness [%] | 95.5 | 72.1 |
Redundancy | 5.9 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 300 | 1.6-1.9M sodium formate, 0.1M sodium acetate |