8A2N
Structure of crocagin biosynthetic protein CgnD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97833 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.480, 102.060, 150.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.560 - 2.350 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.22370 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.531 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX (Autosol) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.560 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.088 | 0.313 |
| Number of reflections | 30717 | 2158 |
| <I/σ(I)> | 21.2 | 8 |
| Completeness [%] | 99.8 | 98.2 |
| Redundancy | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 200 mM ammonium sulfate, 100 mM MES pH 6.5 and 30% PEG 5000MME |
