7P1D
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 61.652, 67.045, 93.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.040 - 1.690 |
| R-factor | 0.2023 |
| Rwork | 0.200 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.530 |
| 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] | 67.040 | 1.740 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 43029 | 2889 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 98.4 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 6K, 0.1M MES pH6 , 0.2M Calcium Chloride |
