2PYA
Ultra-high resolution structure of P. abyssi rubredoxin W4L/R5S/A44S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-09 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.385, 39.812, 45.117 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.860 |
| R-factor | 0.098 |
| R-free | 0.10500 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.033 |
| RMSD bond angle | 0.062 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 0.870 |
| High resolution limit [Å] | 0.860 | 0.860 |
| Number of reflections | 38349 | |
| <I/σ(I)> | 41.3 | 9.64 |
| Completeness [%] | 96.7 | 95.6 |
| Redundancy | 5.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 293 | 3.7 - 4.0 M Sodium Malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.00 |
