3EQA
Catalytic domain of glucoamylase from aspergillus niger complexed with tris and glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.826, 73.222, 106.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.18374 |
Rwork | 0.181 |
R-free | 0.22913 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gly |
RMSD bond length | 0.009 |
RMSD bond angle | 1.150 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.292 |
Number of reflections | 35298 | |
<I/σ(I)> | 21.9 | 2 |
Completeness [%] | 96.5 | 71.6 |
Redundancy | 4.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 50 mM Tris-acetate (pH 8.5), 22.5 % PEG 6000, 0.4 M sodium acetate, 10 % glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |