Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 148.021, 148.021, 46.139 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 128.190 - 1.900 |
Rwork | 0.173 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fax |
RMSD bond length | 0.011 |
RMSD bond angle | 1.699 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.190 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.109 | |
Rpim | 0.047 | 0.320 |
Number of reflections | 45431 | 2857 |
<I/σ(I)> | 9.4 | 2.5 |
Completeness [%] | 99.2 | |
Redundancy | 6.9 | |
CC(1/2) | 0.996 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 4000, ammonium sulphate |