3GED
Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum
Replaces: 3DIIExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-01 |
Detector | ADSC Q315 |
Wavelength(s) | 0.979454 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 124.287, 124.287, 162.608 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.684 - 1.698 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1YDE 1vl8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.327 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.015 | 1.740 |
High resolution limit [Å] | 1.416 | 1.690 |
Rmerge | 0.064 | |
Number of reflections | 68407 | |
<I/σ(I)> | 18.9 | |
Completeness [%] | 97.7 | |
Redundancy | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 298 | 25% (w/v) PEG 4000,100mM TAPs pH 9.0, 50mM sodium thiosulfate pentahydrate 1:1 cocktail to protein ratio (10mg/ml), hanging drop vapor diffusion, temperature 298K |