1CXF
COMPLEX OF A (D229N/E257Q) DOUBLE MUTANT CGTASE FROM BACILLUS CIRCULANS STRAIN 251 WITH MALTOTETRAOSE AT 120 K AND PH 9.1 OBTAINED AFTER SOAKING THE CRYSTAL WITH ALPHA-CYCLODEXTRIN
Experimental procedure
Temperature [K] | 120 |
Detector technology | DIFFRACTOMETER |
Collection date | 1994-12-22 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.840, 110.000, 67.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.800 * - 2.600* |
R-factor | 0.19 |
R-free | 0.28600 * |
RMSD bond length | 0.009 |
RMSD bond angle | 18.600 * |
Data reduction software | MADNES |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.800 * | |
High resolution limit [Å] | 2.600 * | 2.620 * |
Rmerge | 0.054 | |
Total number of observations | 40543 * | |
Number of reflections | 21240 * | |
Completeness [%] | 79.3 * | 13.1 * |
Redundancy | 2.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.5 * | pH 9.1 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 28.7 (mg/ml) | |
2 | 1 | drop | ammonium acetate | 50 (mM) | |
3 | 1 | drop | alpha-cyclodextrin | 50 (mg/ml) | |
4 | 1 | reservoir | MPD | 60 (%(v/v)) | |
5 | 1 | reservoir | sodium Hepes | 100 (mM) |