6F8N
Key residues affecting transglycosylation activity in family 18 chitinases - Insights into donor and acceptor subsites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.840, 87.570, 75.390 |
| Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
| Resolution | 69.960 - 1.450 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nzc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.846 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.960 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmeas | 0.078 | 0.436 |
| Number of reflections | 126010 | 4074 |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 93.9 | 60.6 |
| Redundancy | 2.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M magnesium chloride, 0.1 M Tris-HCl pH 7.0 and 10% (w/v) PEG 8000 in mixtures containing (GlcNAc)6 |
