6GPA
Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.544, 45.632, 138.760 |
Unit cell angles | 90.00, 99.80, 90.00 |
Refinement procedure
Resolution | 46.840 - 1.790 |
R-factor | 0.1728 |
Rwork | 0.170 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gp5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.457 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.850 | 46.850 | 1.830 |
High resolution limit [Å] | 1.790 | 8.960 | 1.790 |
Rmerge | 0.110 | 0.051 | 0.403 |
Rmeas | 0.140 | 0.065 | 0.522 |
Rpim | 0.085 | 0.039 | 0.328 |
Total number of observations | 138347 | ||
Number of reflections | 53053 | 442 | 2687 |
<I/σ(I)> | 8.6 | ||
Completeness [%] | 96.1 | 93.2 | 80.5 |
Redundancy | 2.6 | 2.7 | 2.4 |
CC(1/2) | 0.974 | 0.990 | 0.514 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20-23% PEG6000, 200 mM NH4Cl, MES pH 6.0 |