6Y8F
An inactive (D136N and D137N) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotriose
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 | 2019-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.311, 82.774, 49.700 |
| Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
| Resolution | 49.551 - 1.472 |
| R-factor | 0.1643 |
| Rwork | 0.162 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6shd |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.557 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.770 | 82.770 | 1.500 |
| High resolution limit [Å] | 1.470 | 8.060 | 1.470 |
| Rmerge | 0.083 | 0.047 | 0.371 |
| Rmeas | 0.091 | 0.051 | 0.413 |
| Rpim | 0.038 | 0.020 | 0.179 |
| Total number of observations | 287715 | 2084 | 13225 |
| Number of reflections | 50967 | 333 | 2576 |
| <I/σ(I)> | 10.1 | 21.3 | 3.3 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 5.6 | 6.3 | 5.1 |
| CC(1/2) | 0.997 | 0.999 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 14 % v/v 2-propanol, 30 % v/v Glycerol, 70 mM Sodium acetate pH 4.6, 140 mM Calcium chloride |
