7P1Q
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 | 2018-12-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.922, 74.472, 161.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.680 - 0.910 |
| R-factor | 0.1411 |
| Rwork | 0.140 |
| R-free | 0.15560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xzj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.565 |
| 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] | 80.690 | 0.930 |
| High resolution limit [Å] | 0.910 | 0.910 |
| Rmeas | 0.048 | 0.821 |
| Number of reflections | 226869 | 2960 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 84.3 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.999 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% PEG 1500, 0.1M MMT pH8 |
