3M3H
1.75 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor'
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 | 2010-03-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.762, 56.762, 113.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.430 - 1.750 |
R-factor | 0.18136 |
Rwork | 0.179 |
R-free | 0.22285 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dez |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.063 | 0.524 |
Number of reflections | 19414 | |
<I/σ(I)> | 27.8 | 5.7 |
Completeness [%] | 99.4 | 100 |
Redundancy | 13.7 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 7.7 mg/mL in 10 mM Tris/HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Classic II condition (CS2) A8 (#8). Cryo condition 2.5 M KCl and 25% sucrose. VAPOR DIFFUSION, SITTING DROP, temperature 295K |