7P1U
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic 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 | 2019-12-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91188 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 62.450, 74.010, 160.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.730 - 0.990 |
| R-factor | 0.2192 |
| Rwork | 0.218 |
| R-free | 0.24070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.614 |
| 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] | 47.730 | 1.010 |
| High resolution limit [Å] | 0.990 | 0.990 |
| Rmerge | 0.689 | |
| Number of reflections | 405311 | 18293 |
| <I/σ(I)> | 8.9 | 1 |
| Completeness [%] | 98.5 | 89.6 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.999 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% Peg 3350, 0.2m K formate |
