5JO7
Henbane premnaspirodiene synthase (HPS), also known as Henbane vetispiradiene synthase (HVS) from Hyoscyamus muticus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.449, 100.690, 222.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.688 - 2.150 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eau |
RMSD bond length | 0.008 |
RMSD bond angle | 1.127 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.690 | 2.227 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.093 | 0.417 |
Number of reflections | 104879 | |
<I/σ(I)> | 13.04 | 2.15 |
Completeness [%] | 85.1 | 59.95 |
Redundancy | 6.6 | 2.6 |
CC(1/2) | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | Hanging drop of 1ul of 20 mg/ml protein and 1 ul of 100 mM PIPES pH 6.5, 200 mM di-sodium tartrate and 23% PEG 20000 with 500 ul of 0.55 M NaCl in the bottom |