Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97242 |
Spacegroup name | P 1 |
Unit cell lengths | 88.820, 95.320, 107.570 |
Unit cell angles | 83.45, 65.75, 61.99 |
Refinement procedure
Resolution | 49.004 - 3.004 |
R-factor | 0.235 |
Rwork | 0.233 |
R-free | 0.27740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d3m |
RMSD bond length | 0.005 |
RMSD bond angle | 1.006 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.043 | |
Number of reflections | 52519 | |
<I/σ(I)> | 10.54 | |
Completeness [%] | 92.6 | 86.6 |
Redundancy | 1.76 | 1.72 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 50MM TRIS, 17% PEG 350MME, 2% NG, 10MM SPERMIDINE |