Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95369 |
Spacegroup name | H 3 2 |
Unit cell lengths | 139.104, 139.104, 253.093 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.600 - 2.300 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ws9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.250 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.118 | 0.821 |
Number of reflections | 42053 | |
<I/σ(I)> | 14.2 | 2.8 |
Completeness [%] | 99.4 | 96.5 |
Redundancy | 6.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 23 % PEG 3350, 0.2 M DIAMMONIUM HYDROGEN CITRATE, PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |