3CK8
B. thetaiotaomicron SusD with beta-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2007-09-01 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.670, 73.140, 83.550 |
| Unit cell angles | 65.06, 71.95, 69.76 |
Refinement procedure
| Resolution | 60.190 - 2.100 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ck9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.178 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.200 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 66380 | |
| <I/σ(I)> | 16 | 6.6 |
| Completeness [%] | 94.2 | 82.7 |
| Redundancy | 4.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | seeding in batch | 6 | 298 | 50mM sodium cacodylate, 75mM Calcium acetate, 14% PEG 8000, 10mM beta-cyclodextrin, pH 6.0, seeding in batch, temperature 298K |
