6A1E
Crystal structure of a synthase 1 from Santalum album in complex with ligand fps
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 | 2016-01-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.611, 139.498, 110.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.320 - 1.890 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ong |
RMSD bond length | 0.009 |
RMSD bond angle | 1.425 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.960 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.047 | 0.491 |
Rmeas | 0.040 | 0.017 |
Rpim | 0.017 | 0.007 |
Total number of observations | 503665 | |
Number of reflections | 53005 | 8989 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 99.5 | 100 |
Redundancy | 4.1 | 4.1 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, HEPES, MgCl2 |