4QYI
1.95 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' with HEPES molecule in the active site
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 | 2011-06-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 172.779, 117.009, 56.883 |
| Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
| Resolution | 27.990 - 1.950 |
| R-factor | 0.22288 |
| Rwork | 0.221 |
| R-free | 0.25243 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o7m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.803 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.058 | 0.386 |
| Number of reflections | 81640 | |
| <I/σ(I)> | 19.1 | 2.1 |
| Completeness [%] | 98.4 | 85.5 |
| Redundancy | 3.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | protein: 7 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME crystallization: The PACT Suite C10 (#34): 0.2 M MgCl2, 0.1 M HEPES pH 7.0, 20% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
