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 |