7DL7
The wild-type structure of 3,5-DAHDHcca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-19 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 1 |
| Unit cell lengths | 89.604, 89.889, 123.693 |
| Unit cell angles | 87.33, 70.97, 80.56 |
Refinement procedure
| Resolution | 48.975 - 2.301 |
| R-factor | 0.227174200437 |
| Rwork | 0.226 |
| R-free | 0.25714 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.103 | 0.512 |
| Number of reflections | 155611 | 7443 |
| <I/σ(I)> | 13.455 | |
| Completeness [%] | 97.7 | |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M Li2SO4, 0.1M Tris-HCl buffer (pH 7.5), 24% w/v PEG 3000 |
