5XK8
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-28 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.342, 121.151, 121.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.867 - 2.304 |
R-factor | 0.1869 |
Rwork | 0.185 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xk3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.611 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.061 | 0.401 |
Number of reflections | 42982 | 4245 |
<I/σ(I)> | 24.3 | 3.2 |
Completeness [%] | 99.3 | 99.4 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.961 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PROTEIN: 10 mg/mL in 25 mM Tris-Cl (pH 7.5) and 150 mM NaCl RESERVOIR: 0.2 M (NH4)2SO4, 0.1 M MES pH 6.5, 30% PEG 5000MME SOAK: 5 mM MgCl2, 5 mM (NH4)4P2O7, 0.1 M MES pH 6.5, 30% PEG 5000MME, 10 mM GPP |