4F86
Structure analysis of Geranyl diphosphate methyltransferase in complex with GPP and sinefungin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 78.937, 87.731, 160.222 |
Unit cell angles | 100.01, 96.65, 90.89 |
Refinement procedure
Resolution | 46.510 - 3.000 |
Rwork | 0.279 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bus |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.118 | 0.359 |
Number of reflections | 82669 | |
<I/σ(I)> | 1.7 | |
Completeness [%] | 96.3 | 95.8 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 1.3M lithium sulfate, 1mM sperminero, 30mM magnesium chloride, 50mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |