5MGD
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.127140 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.285, 105.873, 83.715 |
Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
Resolution | 82.630 - 2.150 |
R-factor | 0.19273 |
Rwork | 0.191 |
R-free | 0.22741 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ifp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.408 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8.) |
Phasing software | MOLREP (11.4.04) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.630 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.135 | 0.596 |
Number of reflections | 54536 | |
<I/σ(I)> | 11.1 | 4.2 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 6.8 | 6.5 |
CC(1/2) | 0.995 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 26% (W/V) PEG 3350, 0.1M BIS-TRIS BUFFER pH 6.5, 0.2M LITHIUM SULPHATE, then soaked in 30mM 6-Galactosyl-lactose, and cryoprotected with 20% (W/V) PEG 400. |