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 | 2012-08-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.230, 171.620, 73.700 |
Unit cell angles | 90.00, 109.62, 90.00 |
Refinement procedure
Resolution | 24.290 - 2.000 |
R-factor | 0.22313 |
Rwork | 0.221 |
R-free | 0.26813 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c8u |
RMSD bond length | 0.017 |
RMSD bond angle | 1.685 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.290 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.103 | 0.211 |
Number of reflections | 75550 | |
<I/σ(I)> | 10.3 | 5.6 |
Completeness [%] | 93.7 | 87.3 |
Redundancy | 5.9 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 20% PEG3350, 235mM sodium malonate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 296K |