3CK7
B. thetaiotaomicron SusD with alpha-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2007-10-01 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.100, 163.300, 123.120 |
| Unit cell angles | 90.00, 97.20, 90.00 |
Refinement procedure
| Resolution | 67.500 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ck8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.192 |
| 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] | 67.500 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 127524 | |
| <I/σ(I)> | 6.9 | 1.9 |
| Completeness [%] | 93.4 | 81.2 |
| Redundancy | 4.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | seeding in batch | 8.5 | 298 | 50mM Tris pH 8.5, 100mM sodium acetate, 15% PEG 4000, 2.5mM alpha-cyclodextrin, seeding in batch, temperature 298K |
