5IHR
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE
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 | 2015-04-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.144, 111.406, 125.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.420 - 2.400 |
R-factor | 0.16432 |
Rwork | 0.162 |
R-free | 0.20044 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ifp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.211 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | MOLREP (11.4.04) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.420 | 2.480 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.138 | 0.579 |
Number of reflections | 47163 | |
<I/σ(I)> | 12.4 | 4.9 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 23% (W/V) PEG 3350, 0.1M BIS-TRIS BUFFER PH 5.5 , 0.2M LITHIUM SULPHATE, then soaked in 30 mM allolactose |