Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95372 |
Spacegroup name | P 63 |
Unit cell lengths | 135.391, 135.391, 45.852 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.700 - 2.700 |
R-factor | 0.19837 |
Rwork | 0.195 |
R-free | 0.24975 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y8t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.707 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 2.840 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.110 | 0.779 |
Rpim | 0.041 | |
Number of reflections | 12591 | |
<I/σ(I)> | 17.2 | 2.8 |
Completeness [%] | 93.8 | |
Redundancy | 9.3 | 9.2 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate, PEG2000, Ethanol |