7P1E
Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-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 | P 21 2 21 |
| Unit cell lengths | 61.348, 66.743, 92.635 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.350 - 1.530 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.434 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.350 | 1.570 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.109 | 1.272 |
| Number of reflections | 58094 | 4263 |
| <I/σ(I)> | 7.3 | 1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 2.6 | 2.6 |
| CC(1/2) | 0.995 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% PEG 6K, 0.1M MES pH6 , 0.2M Calcium Chloride |
