3CI4
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)inamide and ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-25 |
Detector | Bruker Platinum 135 |
Spacegroup name | H 3 |
Unit cell lengths | 67.826, 67.826, 111.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.17188 |
Rwork | 0.170 |
R-free | 0.20927 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.993 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.109 | 0.260 |
Number of reflections | 13603 | |
<I/σ(I)> | 5.7 | 1.7 |
Completeness [%] | 98.2 | 99.9 |
Redundancy | 2.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 300 | ANOXIC, 13% PEG 8000, 0.1 M MES, 200 mM KCl, 33 ug/mL FMN reductase, 20 mM NADH, 2 mM FMN, 2 mM dicyanocobinamide, 2 mM MgCl2, 2 mM ATP, pH 6, VAPOR DIFFUSION, temperature 300K |