Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 92.765, 92.765, 182.893 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.820 - 2.510 |
Rwork | 0.210 |
R-free | 0.28020 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | unpublished isomorphous structure |
RMSD bond length | 0.008 |
RMSD bond angle | 1.546 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.820 | 2.650 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmeas | 0.096 | 0.623 |
Rpim | 0.037 | 0.232 |
Number of reflections | 31846 | 4567 |
<I/σ(I)> | 11.9 | 2.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.5 | 6.9 |
CC(1/2) | 0.998 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 285 | 0.2 M potassium formate pH 7.3, 20% w/v PEG 3350 |