2DSL
Mutant N33D structure of phenylacetic acid degradation protein PaaI from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-23 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 57.670, 57.670, 139.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.560 - 1.700 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.412 |
| Number of reflections | 26557 | |
| <I/σ(I)> | 12.2 | 3.3 |
| Completeness [%] | 98.7 | 99.3 |
| Redundancy | 6.39 | 6.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbach | 7.5 | 295 | 20% PEG 400, 0.2M Magnesium Chloride, 0.1M HEPES, pH 7.5, Microbach, temperature 295K |
