3O7M
1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
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 | 2010-07-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 122.499, 122.499, 119.685 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.920 - 1.980 |
R-factor | 0.16918 |
Rwork | 0.167 |
R-free | 0.20595 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h83 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.581 |
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 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.080 | 0.560 |
Number of reflections | 63787 | |
<I/σ(I)> | 31.29 | 5.15 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | protein at 7.4 mg/mL in 10 mM Tris/HCl, pH 8.3, 500 mM NaCl, 5 mM BME. Crystals grew from 2 M AmSO4 0.1 M bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |