6SHD
Structure of the GH76A alpha-1,6-mannanase from Salegentibacter sp. HEL1_6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 187.261, 37.507, 187.457 |
Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
Resolution | 55.091 - 2.000 |
R-factor | 0.1471 |
Rwork | 0.146 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k7x |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.020 | 92.020 | 2.040 |
High resolution limit [Å] | 2.000 | 10.770 | 2.000 |
Rmerge | 0.100 | 0.058 | 0.845 |
Rmeas | 0.108 | 0.064 | 0.915 |
Rpim | 0.042 | 0.027 | 0.346 |
Total number of observations | 574248 | 3363 | 30691 |
Number of reflections | 87258 | 630 | 4422 |
<I/σ(I)> | 11.3 | 24.6 | 2.6 |
Completeness [%] | 99.4 | 96.7 | 99.8 |
Redundancy | 6.6 | 5.3 | 6.9 |
CC(1/2) | 0.997 | 0.994 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.2 M Magnesium chloride hexahydrate 0.1 M Sodium acetate pH 5.0 20 % w/v PEG 6000 |