1DTU
BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE: A MUTANT Y89D/S146P COMPLEXED TO AN HEXASACCHARIDE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1996-03-01 |
Detector | MACSCIENCE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 120.445, 111.160, 65.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.400 |
R-factor | 0.209 |
Rwork | 0.206 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1CXG |
RMSD bond length | 0.002 |
RMSD bond angle | 17.135 * |
Data reduction software | BIOMOL |
Data scaling software | XDS |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.860 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.075 | 0.256 |
Total number of observations | 126519 * | |
Number of reflections | 32700 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 92.7 | 88.8 |
Redundancy | 3.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 60 % MPD, 100 MM TRIS PH 7.1, 5% (w/v) maltose, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | MPD | 60 (%(v/v)) | |
2 | 1 | reservoir | HEPES | 100 (mM) | |
3 | 1 | reservoir | maltose | 5 (%(w/v)) |