Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979500 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.990, 76.760, 148.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.560 - 2.750 |
Rwork | 0.221 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.006 |
RMSD bond angle | 1.396 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.820 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 12895 | 952 |
<I/σ(I)> | 5.66 | |
Completeness [%] | 98.7 | |
Redundancy | 6.397 | |
CC(1/2) | 0.990 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 7.5-25% PEG6000, Bicine pH=9.0 |