6A3X
Crystal structure of a synthase 1 from Santalum album in complex with ligand s
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 | 2016-05-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.760, 139.484, 111.178 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.750 |
R-factor | 0.1613 |
Rwork | 0.160 |
R-free | 0.18540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ong |
RMSD bond length | 0.010 |
RMSD bond angle | 1.455 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.052 | 0.026 | 0.606 |
Rmeas | 0.055 | 0.028 | 0.646 |
Rpim | 0.019 | 0.010 | 0.222 |
Total number of observations | 552998 | ||
Number of reflections | 66681 | 6943 | 6525 |
<I/σ(I)> | 16 | ||
Completeness [%] | 99.4 | 99.3 | 98.8 |
Redundancy | 8.3 | 8 | 8.3 |
CC(1/2) | 0.999 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Ammonium Sulfate, HEPES, MgCl2 |