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 | 42.320, 77.410, 148.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.735 - 2.700 |
Rwork | 0.237 |
R-free | 0.27140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.004 |
RMSD bond angle | 1.275 |
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 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 25517 | 1935 |
<I/σ(I)> | 5.09 | 1.21 |
Completeness [%] | 98.4 | |
Redundancy | 3.4339 | |
CC(1/2) | 0.974 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 7.5-25% PEG 6000, Bicine, pH = 9.0 |