3FFX
Crystal Structure of CheY triple mutant F14E, N59R, E89H complexed with BeF3- and Mn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.564, 53.408, 161.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.970 - 2.010 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21000 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.546 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.970 | 50.000 | 2.080 |
High resolution limit [Å] | 2.010 | 4.330 | 2.010 |
Rmerge | 0.079 | 0.040 | 0.427 |
Number of reflections | 31825 | ||
<I/σ(I)> | 24.951 | ||
Completeness [%] | 99.7 | 98.4 | 99.7 |
Redundancy | 4.7 | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | Tris buffer, Ammonium Sulfate, Glycerol, BeCl2, NaF, MnCl2, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |