5EO6
Coproporphyrinogen III oxidase (HemF) from Acinetobacter baumannii
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 | 2015-06-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978560 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.140, 97.160, 71.260 |
Unit cell angles | 90.00, 115.79, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.450 |
R-factor | 0.1358 |
Rwork | 0.135 |
R-free | 0.16790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1VJU chain A |
RMSD bond length | 0.013 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 | |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.050 | 0.026 | 0.486 |
Rmeas | 0.059 | 0.031 | 0.569 |
Total number of observations | 575739 | ||
Number of reflections | 153349 | 1704 | 11333 |
<I/σ(I)> | 15.31 | 36.35 | 2.73 |
Completeness [%] | 99.4 | 95 | 99.7 |
Redundancy | 3.75 | 3.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 25.75 mg/mL AcbaC.17085.a.B1.PS02404 with Rigaku Reagents JCSG+ a4: 30% MPD, 20 mM calcium chloride, 100 mM sodium acetate / acetic acid, pH 4.6, cryoprotection: direct, tray 263906a4, puck fyy9-6 |