7P1S
Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.646, 179.008, 97.292 |
| Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
| Resolution | 179.010 - 1.920 |
| R-factor | 0.2612 |
| Rwork | 0.260 |
| R-free | 0.28880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.364 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 179.010 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.145 | 0.887 |
| Number of reflections | 113657 | 4982 |
| <I/σ(I)> | 4.6 | 0.8 |
| Completeness [%] | 92.5 | 55.1 |
| Redundancy | 2.9 | 2.1 |
| CC(1/2) | 0.970 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% PEG 1500 0.1M SPG pH 8 |
