6HY1
Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
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 | 2017-07-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9299 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 199.870, 135.000, 48.570 |
Unit cell angles | 90.00, 95.95, 90.00 |
Refinement procedure
Resolution | 32.167 - 1.600 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.232 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 111.680 | 111.680 | 1.590 |
High resolution limit [Å] | 1.550 | 6.920 | 1.550 |
Rmerge | 0.056 | 0.019 | 1.637 |
Rmeas | 0.061 | 0.021 | 1.828 |
Number of reflections | 175421 | 2103 | 7188 |
<I/σ(I)> | 16.06 | 62.08 | 0.87 |
Completeness [%] | 94.3 | 98.5 | 52.4 |
Redundancy | 6.833 | 6.482 | 4.955 |
CC(1/2) | 1.000 | 1.000 | 0.430 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25% PEG 3350, 0.1M ammonium sulfate, 0.1M 2-(N-morpholino) ethanesulfonic acid, pH 5.6 |