3D43
The crystal structure of Sph at 0.8A
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 | 2000-09-18 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8423 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.088, 62.668, 84.874 |
| Unit cell angles | 90.00, 95.47, 90.00 |
Refinement procedure
| Resolution | 19.010 - 0.800 |
| R-factor | 0.147 |
| Rwork | 0.146 |
| R-free | 0.16610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.032 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.500 | 0.830 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.044 | 0.230 |
| Number of reflections | 411650 | |
| <I/σ(I)> | 13.4 | 2.3 |
| Completeness [%] | 81.0 | 70 |
| Redundancy | 2.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 25 mM CaCl2, 0.1 M Hepes (pH 7.5), 24% PEG 6000, temperature 293K |
