3KB8
2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP
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 | 2009-07-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.220, 80.477, 120.236 |
| Unit cell angles | 90.00, 101.24, 90.00 |
Refinement procedure
| Resolution | 30.080 - 2.090 |
| R-factor | 0.20582 |
| Rwork | 0.204 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h83 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.696 |
| 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] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.101 | 0.539 |
| Number of reflections | 56550 | |
| <I/σ(I)> | 9.61 | 2.66 |
| Completeness [%] | 94.0 | 99.5 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | The Classics II Suite, condition B6, mixed at 1:1 v/v ratio with the protein at 7.4 mg/mL in 0.5 M NaCl, 5 mM BME, 1 mM GMP, 1 mM MgCl2, 10 mM Tris/HCl pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
