3HVU
1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase from Bacillus anthracis with 2-(N-morpholino)ethanesulfonic acid (MES)
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 | 2009-05-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.713, 93.377, 94.900 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 29.960 - 1.950 |
| R-factor | 0.19427 |
| Rwork | 0.192 |
| R-free | 0.23172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h83 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.644 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.054 | 0.494 |
| Number of reflections | 65972 | |
| <I/σ(I)> | 21.9 | 2.2 |
| Completeness [%] | 98.0 | 92.5 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | protein: 7mg/mL, 0.25M NaCl, 0.01M Tris-HCl pH 8.3; screen: PACT D3, 0.1M MMT buffer pH 6.0, 25% v/v PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
