5M31
Macrodomain of Thermus aquaticus DarG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.600, 45.020, 35.540 |
Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
Resolution | 41.160 - 1.670 |
R-factor | 0.17343 |
Rwork | 0.172 |
R-free | 0.20345 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m3e |
RMSD bond length | 0.016 |
RMSD bond angle | 1.566 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.160 | 1.710 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.055 | 0.691 |
Number of reflections | 18354 | |
<I/σ(I)> | 18.2 | 2 |
Completeness [%] | 96.6 | 79 |
Redundancy | 6.5 | 4.9 |
CC(1/2) | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 8% (w/v) PEG 20000, 8% (w/v) PEG 500 MME, 200 mM potassium thiocyanate, 100 mM sodium acetate (pH5.5) |