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 |