4JZB
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-22 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.361, 85.967, 107.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.960 - 1.900 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.076 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.960 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.072 | 0.037 | 0.473 |
Number of reflections | 58810 | ||
<I/σ(I)> | 11.5 | ||
Completeness [%] | 99.4 | 99.2 | 95.3 |
Redundancy | 6.8 | 7.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |