5YAO
The complex structure of SZ529 and expoxid
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 | 2015-04-17 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.93911 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 53.226, 61.097, 120.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.133 - 2.611 |
| R-factor | 0.2355 |
| Rwork | 0.233 |
| R-free | 0.28240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cf2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 12436 | 608 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 1.4 M sodium citrate, 0.1 M Hepes pH 7.0 |
