5MGC
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-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 | 59.627, 106.659, 84.425 |
Unit cell angles | 90.00, 96.13, 90.00 |
Refinement procedure
Resolution | 83.940 - 2.300 |
R-factor | 0.17058 |
Rwork | 0.169 |
R-free | 0.20407 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ifp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.440 |
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] | 83.940 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.125 | 0.605 |
Number of reflections | 46654 | |
<I/σ(I)> | 10.7 | 3.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.8 | 6.7 |
CC(1/2) | 0.996 | 0.957 |
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 4-Galactosyl-lactose, and cryoprotected with 20% (W/V) PEG 400. |