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 |