3GAH
Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2007-08-17 |
Detector | SBC-3 |
Spacegroup name | H 3 |
Unit cell lengths | 80.814, 80.814, 89.492 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.170 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 2.849 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.210 |
High resolution limit [Å] | 1.170 | 2.520 | 1.170 |
Rmerge | 0.070 | 0.059 | 0.179 |
Number of reflections | 73398 | ||
<I/σ(I)> | 41.478 | ||
Completeness [%] | 99.6 | 99.8 | 97.3 |
Redundancy | 4.4 | 7.5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | anoxic, 14% PEG 8000, 0.2M potassium chloride, 0.1 M HEPPS, 30 ug/mL E. coli FMN reductase, 50 mM NADH, 10 mM FMN, 10 mM hydoxycobalamin, 10 mM ATP, 10 mM magnesium chloride, 0.3 M sodium chloride , pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |