1UKQ
Crystal structure of cyclodextrin glucanotransferase complexed with a pseudo-maltotetraose derived from acarbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2001-10-22 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 64.940, 74.490, 79.100 |
Unit cell angles | 85.13, 105.02, 101.02 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.188 |
Rwork | 0.184 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pam |
RMSD bond length | 0.013 * |
RMSD bond angle | 3.010 * |
Data reduction software | FFFEAR |
Data scaling software | FFFEAR |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.550 * | 2.039 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.132 | 0.245 |
Number of reflections | 91157 | |
Completeness [%] | 96.0 | 86.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5.6 | 293 | Harata, K., (1996) Acta Cryst., D52, 1136. * |