7P1F
Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic 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 | 61.318, 66.833, 92.813 |
| Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
| Resolution | 92.800 - 1.450 |
| R-factor | 0.1544 |
| Rwork | 0.152 |
| R-free | 0.19860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xzk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.411 |
| 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] | 92.800 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.059 | 0.680 |
| Number of reflections | 129965 | 8132 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 96.3 | 86.6 |
| Redundancy | 2.6 | |
| CC(1/2) | 0.996 | 0.479 |
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 |
