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 | 2015-11-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.7 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 149.105, 149.105, 45.804 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.854 - 2.180 |
Rwork | 0.196 |
R-free | 0.23940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fax |
RMSD bond length | 0.010 |
RMSD bond angle | 1.675 |
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] | 129.130 | 2.250 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.094 | |
Rmeas | 0.100 | |
Rpim | 0.023 | |
Number of reflections | 30651 | 2591 |
<I/σ(I)> | 25.1 | 1.8 |
Completeness [%] | 99.9 | 98.6 |
Redundancy | 17.3 | 7.1 |
CC(1/2) | 0.999 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 1000, PEG 3350, MPD, MOPS/HEPES-Na |