Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.658, 65.658, 264.139 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.400 - 2.400 |
R-factor | 0.1923 |
Rwork | 0.189 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.770 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 15931 | 1538 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 99.2 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 273 | 50 mM Bis-Tris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate |