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 |
