3WJS
Crystal structure of GYE (old yellow enzyme)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 138.886, 138.886, 145.091 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.340 - 3.300 |
| R-factor | 0.17726 |
| Rwork | 0.174 |
| R-free | 0.24514 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 12332 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 400, KCl, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
