6N1F
Crystal structure of Oxidoreductase, 2OG-Fe(II) oxygenase family, from Burkholderia pseudomallei
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 | 2018-11-01 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 47.030, 54.990, 112.100 |
Unit cell angles | 77.66, 87.03, 64.73 |
Refinement procedure
Resolution | 27.351 - 2.050 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.24160 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.859 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3304)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.351 | 27.351 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.070 | 0.051 | 0.345 |
Rmeas | 0.081 | 0.060 | 0.413 |
Total number of observations | 228439 | ||
Number of reflections | 59902 | 594 | 4015 |
<I/σ(I)> | 11.64 | 22.66 | 3.17 |
Completeness [%] | 96.3 | 86.3 | 87.5 |
Redundancy | 3.814 | 3.419 | 3.339 |
CC(1/2) | 0.997 | 0.996 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Hampton Research PACT screen F12: 200mM sodium malonate dibasic, 20% PEG 3350, 100mM BisTris propane/HCl pH 6.5: BupsA.17629.a.A1.PD38303 at 10.9mg/ml: cryo: 20% EG: tray 299888F12: puck WTM5-3 |