Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.527, 132.053, 149.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.030 - 2.970 |
R-factor | 0.21992 |
Rwork | 0.218 |
R-free | 0.26119 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1s |
RMSD bond length | 0.017 |
RMSD bond angle | 1.944 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.030 | 3.130 |
High resolution limit [Å] | 2.970 | 2.970 |
Rmerge | 0.086 | |
Number of reflections | 30773 | |
<I/σ(I)> | 6.7 | 1.6 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 704 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | PROTEIN AT 5MG PER ML. 0.6 TO 0.8M KCL, 0.9 TO 1.2M (NH402SO4, AND 100MM HEPES (PH 7.0) |