5D76
The crystal structure of Ly7917 with the hydrolyzing product of MDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-23 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.856, 97.139, 174.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.283 - 2.540 |
| R-factor | 0.2103 |
| Rwork | 0.207 |
| R-free | 0.26570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d74 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.204 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.580 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.869 | |
| Number of reflections | 20090 | |
| <I/σ(I)> | 20.4 | 61.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 11.9 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 0.1M Na-tartrate, 1.2M NaCl |
