8T7W
Crystal structure of Oxygen-dependent coproporphyrinogen-III oxidase (hemF) from Klebsiella aerogenes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-20 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 52.373, 114.106, 117.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.150 - 1.550 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_4933) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.079 | 1.453 |
Rmeas | 0.082 | 1.515 |
Rpim | 0.022 | 0.424 |
Total number of observations | 702985 | 31620 |
Number of reflections | 51531 | 2503 |
<I/σ(I)> | 15.8 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 13.6 | 12.6 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Morpheus E2: 20%(v/v) Ethylene glycol, 10%(w/v) PEG 8000, 100 mM Imidazole/MES, pH 6.5, 30 mM Diethylene glycol, 30 mM Triethyleneglycol, 30 mM Tetraethylene glycol and 30 mM Pentaethylene glycol. KlaeA.17085.a.B1.PW39170 at 43.4 mg/mL. plate 13138 well E2 drop 1. Puck: PSL-0704, Cryo: Direct. Large disorder/conformational change from H66-S85 modeled in two conformations. |