2GVY
Monoclinic crystal form of Aspergillus niger alpha-amylase in complex with maltose at 1.8 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.451, 101.149, 75.185 |
Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.674 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.987 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.104 | 0.578 |
Total number of observations | 82342 | |
Number of reflections | 84823 | |
<I/σ(I)> | 5.8 | 1.3 |
Completeness [%] | 96.6 | 95 |
Redundancy | 7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 30% PEG 6000, 0.1M ammonium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |