3THQ
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.621, 64.343, 61.255 |
Unit cell angles | 90.00, 115.32, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.16997 |
Rwork | 0.169 |
R-free | 0.19162 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dv7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.551 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.049 | 0.302 |
Number of reflections | 60551 | |
<I/σ(I)> | 11.6 | 2.89 |
Completeness [%] | 94.3 | 76.1 |
Redundancy | 3.7 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Trisodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |