5IQT
WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.045, 83.067, 141.944 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iqs |
RMSD bond length | 0.005 |
RMSD bond angle | 0.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.132 | 0.050 | 0.719 |
Rmeas | 0.143 | ||
Rpim | 0.053 | ||
Total number of observations | 240313 | ||
Number of reflections | 33967 | ||
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.9 | 99.5 | 99.2 |
Redundancy | 7.1 | 5.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.1 M Bis-tris pH 5.5, 0.1 M sodium acetate pH 4.5 |