6EQ8
Structure of the periplasmic binding protein (PBP) MelB (Atu4661) in complex with galactinol from agrobacterium fabrum C58
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | .98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 355.260, 73.660, 108.080 |
Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
Resolution | 32.060 - 2.190 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6epy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 137636 | |
<I/σ(I)> | 7.5 | 1.5 |
Completeness [%] | 98.7 | 92.6 |
Redundancy | 5.2 | |
CC(1/2) | 0.993 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 4000, 0.6 M NaCl, 0.2 M CaCl2 and 0.1 M Mes pH 6.5 |