8AWO
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant AIFQ (Y7A/M38I/Y83F/C106Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-04 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.795, 53.733, 90.435 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.600 - 1.700 |
R-factor | 0.2105 |
Rwork | 0.209 |
R-free | 0.24160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vj2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.082 | 0.653 |
Rpim | 0.036 | 0.275 |
Number of reflections | 23041 | 2219 |
<I/σ(I)> | 12.75 | 2.82 |
Completeness [%] | 99.8 | |
Redundancy | 6.4 | |
CC(1/2) | 0.997 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 8 mg/ml protein concentration 0.1 M Tris pH 8.5 2 M ammonium sulfate |