6SDO
Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 57.824, 57.824, 398.248 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.080 - 1.680 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yhl |
RMSD bond length | 0.009 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 398.248 | 1.780 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 46230 | 6734 |
<I/σ(I)> | 37.8 | 6.43 |
Completeness [%] | 98.7 | 91.6 |
Redundancy | 4.9 | |
CC(1/2) | 0.998 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 4mM ZnSO4+ 8 mM MES pH:6.50, 12.36% PEG MME 550, 11.57% Glycerol. crystal obtained by microseeding: 160mM (NH4)2SO4, 80mM NaOAc pH:5.00, 20% PEG 4000, 20% Glycerol |