7P1O
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 I04-1 |
| 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 1 2 1 |
| Unit cell lengths | 61.123, 66.832, 92.730 |
| Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
| Resolution | 92.720 - 1.600 |
| R-factor | 0.1559 |
| Rwork | 0.155 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.406 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.720 | 1.470 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.075 | 0.921 |
| Number of reflections | 98624 | 9897 |
| <I/σ(I)> | 8.4 | 1 |
| Completeness [%] | 98.8 | 97.8 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.996 | 0.396 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 6K, HEPES pH 7, 0.2M Ammonium Chloride |
