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 | 2013-04-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.840, 94.690, 103.680 |
Unit cell angles | 90.00, 92.64, 90.00 |
Refinement procedure
Resolution | 51.780 - 1.480 |
R-factor | 0.16394 |
Rwork | 0.163 |
R-free | 0.18665 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eoe |
RMSD bond length | 0.013 |
RMSD bond angle | 1.646 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.780 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.149 | 0.380 |
Number of reflections | 157506 | |
<I/σ(I)> | 4.3 | 2.2 |
Completeness [%] | 88.0 | 89.7 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 20% PEG 4600, 20% MPD, 0.1M sodium citrate, pH 5.6 |