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 | CCD |
Collection date | 2012-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 244.832, 251.414, 412.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.687 - 6.740 |
R-factor | 0.425205947788 |
Rwork | 0.425 |
R-free | 0.43465 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uq8 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.177 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 7.200 |
High resolution limit [Å] | 6.740 | 6.800 |
Rmerge | 0.083 | 1.270 |
Number of reflections | 44280 | |
<I/σ(I)> | 11.4 | |
Completeness [%] | 97.2 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | Tris-HCl, magnesium chloride, sodium chloride, PEG 3350, n-Dodecyl beta-D-maltoside |