1P6W
Crystal structure of barley alpha-amylase isozyme 1 (AMY1) in complex with the substrate analogue, methyl 4I,4II,4III-tri-thiomaltotetraoside (thio-DP4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-10-26 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 93.430, 72.100, 60.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.520 - 2.000 |
R-factor | 0.17 |
Rwork | 0.170 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ht6 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.600 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 27556 | |
<I/σ(I)> | 5.7 | 1.6 |
Completeness [%] | 96.7 | 96.7 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 290 | PEG 8000, ISOPROPANOL, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 290K |