3H83
2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) 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 | 2009-04-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.236, 80.549, 120.536 |
| Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.060 |
| R-factor | 0.1704 |
| Rwork | 0.168 |
| R-free | 0.20753 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yfz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.767 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.090 | 0.255 |
| Number of reflections | 61007 | |
| <I/σ(I)> | 11.85 | 4.4 |
| Completeness [%] | 97.0 | 99.9 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | The Classic II Suite, condition B6, mixed with 1:1 v/v with protein sample (7.4 mg/mL, 0.25 M NaCl, 5 mM BME, 10 mM Tris/HCl pH 8.3), VAPOR DIFFUSION, SITTING DROP, temperature 295K |
