3KBK
Epi-isozizaene synthase complexed with Hg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Detector technology | CCD |
| Collection date | 2008-10-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0548 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.693, 46.549, 75.551 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 37.744 - 1.900 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.20230 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.832 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 53144 | |
| <I/σ(I)> | 18.1 | 4.4 |
| Completeness [%] | 96.6 | |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
