Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.863, 69.346, 62.473 |
Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
Resolution | 46.230 - 1.600 |
Rwork | 0.190 |
R-free | 0.23460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.848 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.230 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.116 | 0.933 |
Rmeas | 0.120 | 0.968 |
Rpim | 0.032 | 0.258 |
Number of reflections | 34197 | 1687 |
<I/σ(I)> | 11 | 2.7 |
Completeness [%] | 99.1 | 97.1 |
Redundancy | 13.8 | 13.9 |
CC(1/2) | 0.995 | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 2 M sodium formate, 0.1 M sodium acetate, pH 5.0 |