4MC3
Hedycaryol synthase in complex with Nerolidol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 59.440, 59.440, 182.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.855 - 1.500 |
| R-factor | 0.14549 |
| Rwork | 0.143 |
| R-free | 0.18922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Hedycaryol Synthase experimentally phased with HgCl2 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.855 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.043 | 0.548 |
| Number of reflections | 61118 | |
| <I/σ(I)> | 20.4 | 2.6 |
| Completeness [%] | 98.4 | 96.8 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 4M Sodium formiate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
