2NTL
Crystal structure of PurO/AICAR from Methanothermobacter thermoautotrophicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 8-BM |
| Synchrotron site | APS |
| Beamline | 8-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-22 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 |
| Unit cell lengths | 85.913, 85.913, 124.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.640 - 2.600 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kuu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 31271 | |
| <I/σ(I)> | 21.27 | 3.83 |
| Completeness [%] | 98.5 | 99.6 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295.15 | 25-30% MPD, 0.2M ammonium acetate, 0.1M sodium citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K |
