3N2L
2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase (pyrE) from Vibrio cholerae O1 biovar eltor str. N16961
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.587, 76.712, 133.944 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.22436 |
Rwork | 0.222 |
R-free | 0.26861 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lh0 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.567 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.079 | 0.495 |
Number of reflections | 114128 | |
<I/σ(I)> | 11.25 | 2.72 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 7.5 mg/mL protein in 10 mM Tris/HCl pH 8.3 0.5 M NaCl, 5 mM BME. The crystallization condition is The Classics II Suite (#8) Cryo 5M NaCl + 50% sucrose. Crystals grew from 1:1 v/v drop. , VAPOR DIFFUSION, SITTING DROP, temperature 295K |