6EBQ
Crystal Structure of the Flavoprotein NrdI from Aerococcus urinae in Oxidized Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.444, 50.057, 64.272 |
Unit cell angles | 90.00, 112.57, 90.00 |
Refinement procedure
Resolution | 59.350 - 1.950 |
R-factor | 0.2399 |
Rwork | 0.238 |
R-free | 0.26920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n3a chain C |
RMSD bond length | 0.007 |
RMSD bond angle | 1.182 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.350 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.034 | 0.022 | 0.404 |
Rmeas | 0.037 | 0.024 | 0.437 |
Rpim | 0.013 | 0.009 | 0.165 |
Number of reflections | 23129 | 1220 | 1121 |
<I/σ(I)> | 14 | ||
Completeness [%] | 97.4 | 97.8 | 95.1 |
Redundancy | 7.5 | 7.2 | 6.9 |
CC(1/2) | 0.999 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 17% (w/v) PEG 20000, 0.1 M sodium acetate pH 4.6 |