6ZJ6
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with cyclohexylmethyl-Glc-1,3-isofagomine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97630 |
| Spacegroup name | I 4 |
| Unit cell lengths | 107.981, 107.981, 67.282 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.350 - 1.090 |
| Rwork | 0.113 |
| R-free | 0.13550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hmg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.930 |
| Data reduction software | xia2 (0.5.902-gffa11588-dials-1.14) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC (5.8.0258) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.350 | 1.110 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.059 | 1.120 |
| Rmeas | 0.065 | 1.342 |
| Rpim | 0.027 | 0.715 |
| Number of reflections | 153951 | 5269 |
| <I/σ(I)> | 12.5 | 0.9 |
| Completeness [%] | 95.9 | 66.4 |
| Redundancy | 5.1 | 2.8 |
| CC(1/2) | 0.997 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 3 M sodium acetate pH 6.6 - 7,4 |
