6W7I
LmFPPS mutant T164W in complex with 476A, IPP & Ca
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 | 2010-08-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.932, 79.977, 81.175 |
Unit cell angles | 90.00, 106.39, 90.00 |
Refinement procedure
Resolution | 77.850 - 2.100 |
R-factor | 0.1868 |
Rwork | 0.184 |
R-free | 0.23850 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4jzx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.165 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.850 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.072 | 0.048 | 0.217 |
Number of reflections | 38828 | 4249 | 2404 |
<I/σ(I)> | 15.5 | ||
Completeness [%] | 92.1 | 98.9 | 57.8 |
Redundancy | 3.2 | 3.5 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291.5 | 100 mM MES, 15-25 % PEG 8000, 100-200 mM CaAcetate |