3CKB
B. thetaiotaomicron SusD with maltotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2007-08-01 |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 1 |
Unit cell lengths | 61.690, 67.710, 83.290 |
Unit cell angles | 111.16, 92.94, 109.06 |
Refinement procedure
Resolution | 59.500 - 2.300 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ckc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.161 |
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] | 59.500 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 47571 | |
<I/σ(I)> | 6.1 | 2.5 |
Completeness [%] | 91.9 | 73.2 |
Redundancy | 3.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | seeding in batch | 6 | 298 | 50mM sodium cacodylate, 75mM calcium acetate, 14% PEG 8000, 70mM maltotriose, pH 6.0, seeding in batch, temperature 298K |