3SGU
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-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 | 2008-01-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.891, 103.709, 73.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.940 - 1.700 |
R-factor | 0.16576 |
Rwork | 0.164 |
R-free | 0.19614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dv7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.467 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.059 | 0.232 |
Number of reflections | 22900 | |
<I/σ(I)> | 14 | 2.8 |
Completeness [%] | 94.9 | 65 |
Redundancy | 5.7 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | Trisodium Citrate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |