1YK4
Ultra-high resolution structure of Pyrococcus abyssi rubredoxin W4L/R5S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.7301 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.140, 39.500, 45.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.690 |
| R-factor | 0.1 |
| Rwork | 0.100 |
| R-free | 0.10800 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.026 |
| RMSD bond angle | 0.057 |
| 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] | 20.000 | 0.700 |
| High resolution limit [Å] | 0.690 | 0.690 |
| Number of reflections | 132784 | |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 94.5 | 90.4 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | Sodium malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
