7P1R
Structure of Trichophyton Rubrum KDNase in complex with 2,3-difluoro-KDN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.910, 179.490, 98.070 |
| Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
| Resolution | 95.200 - 1.750 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.431 |
| 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] | 95.200 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.077 | |
| Number of reflections | 158507 | 7614 |
| <I/σ(I)> | 8.8 | 1 |
| Completeness [%] | 96.6 | 94.5 |
| Redundancy | 2.7 | 2.3 |
| CC(1/2) | 0.990 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 25% PEG 1500, 0.1M SPG pH4 |
