5MAB
FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.739 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.770, 112.770, 143.540 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 97.662 - 2.436 |
R-factor | 0.1686 |
Rwork | 0.169 |
R-free | 0.16860 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.287 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.700 | 2.540 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.136 | 0.707 |
Number of reflections | 38579 | |
<I/σ(I)> | 28.3 | 1.9 |
Completeness [%] | 96.1 | 77.1 |
Redundancy | 32.3 | 6.3 |
CC(1/2) | 0.482 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | VAPOR DIFFUSION AT 293 K IN SITTING DROPS OF 1 MICRO-L OF PROTEIN SOLUTION (15 MG/ML OF FOXE IN 5 MM POTASSIUM PHOSPHATE BUFFER PH 7.0) PLUS 1 MICRO-L OF PRECIPITANT SOLUTION (1.2 M SODIUM/POTASSIUM PHOSPHATE PH 7.5, 50 MM COPPER CHLORIDE) EQUILIBRATED AGAINST 500 ML OF PRECIPITANT SOLUTION IN THE WELL |