5IYS
Crystal structure of a dehydrosqualene synthase in complex with ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.238, 41.090, 93.477 |
| Unit cell angles | 90.00, 96.35, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.930 |
| R-factor | 0.1669 |
| Rwork | 0.164 |
| R-free | 0.21950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e9u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.445 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 4.150 | 1.930 |
| Rmerge | 0.064 | 0.051 | 0.258 |
| Rmeas | 0.076 | ||
| Rpim | 0.040 | ||
| Total number of observations | 70500 | ||
| Number of reflections | 21148 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 98.0 | 94.7 | 97.1 |
| Redundancy | 3.3 | 3.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 24% PEG 3350, 0.1M Li2SO4, 0.1M Bis-Tris pH 6.5 |
