5LYR
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.513, 108.513, 67.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.730 - 1.140 |
| R-factor | 0.12473 |
| Rwork | 0.124 |
| R-free | 0.14333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4utf |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.502 |
| Data reduction software | DIALS (1.0-0-g66ac5d4) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.730 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.051 | 1.158 |
| Number of reflections | 134771 | |
| <I/σ(I)> | 10.6 | 0.7 |
| Completeness [%] | 94.6 | 61.5 |
| Redundancy | 5.6 | 2.3 |
| CC(1/2) | 0.999 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292.15 | 3 M sodium acetate, pH 6.8 |
