4Y5T
Structure of FtmOx1 apo with metal Iron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.445, 45.561, 105.409 |
Unit cell angles | 90.00, 99.74, 90.00 |
Refinement procedure
Resolution | 42.910 - 1.949 |
R-factor | 0.1663 |
Rwork | 0.164 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.986 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.914 | 2.019 |
High resolution limit [Å] | 1.949 | 1.949 |
Rmerge | 0.725 | |
Number of reflections | 41734 | |
<I/σ(I)> | 18.328 | 2.017 |
Completeness [%] | 99.9 | 99.22 |
Redundancy | 6.6 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 100 mM MES pH6.5, 50 mM CoCl2, and 2 M of ammonium sulfate |