2P6C
Crystal structure of hypothetical protein aq_2013 from Aquifex aeolicus VF5.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 70.248, 70.248, 133.937 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.120 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vmj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 | 0.099 |
| Number of reflections | 16682 | |
| <I/σ(I)> | 32.6 | 15 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.6 | 291 | 0.1M Sodium Citrate, 1.0M Ammonium dihydrogen Phosphate, pH 5.6, MICROBATCH, temperature 291K |
