3CKC
B. thetaiotaomicron SusD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2006-11-30 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97167 |
Spacegroup name | P 1 |
Unit cell lengths | 62.196, 68.056, 83.050 |
Unit cell angles | 111.09, 93.17, 109.17 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.21000 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.210 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.520 |
High resolution limit [Å] | 1.470 | 1.470 |
Number of reflections | 190539 | |
<I/σ(I)> | 54 | 19.7 |
Completeness [%] | 100.0 | 90 |
Redundancy | 4.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | seeding in batch | 6 | 298 | 50mM MES, 50mM NaCl, 14% PEG 8000, pH 6.0, seeding in batch, temperature 298K |