7R1H
Crystal structure of a flavodiiron protein D52K mutant in the reduced state from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-21 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 88.851, 64.787, 146.560 |
Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
Resolution | 75.157 - 1.960 |
Rwork | 0.201 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FlRd |
RMSD bond length | 0.009 |
RMSD bond angle | 0.650 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1436) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.180 | 2.050 |
High resolution limit [Å] | 1.960 | 1.960 |
Rpim | 0.083 | 0.357 |
Number of reflections | 60345 | 8881 |
<I/σ(I)> | 5.5 | |
Completeness [%] | 98.2 | |
Redundancy | 2.3 | |
CC(1/2) | 0.969 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 0.1 M sodium citrate pH 5.6, 20-23% w/v PEG 4000 and 23-25% v/v 2-propanol |