3TTU
Structure of F413Y/H128N double variant of E. coli KatE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.543 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.620, 132.960, 122.670 |
Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
Resolution | 35.462 - 1.890 |
R-factor | 0.1466 |
Rwork | 0.144 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.023 |
RMSD bond angle | 1.848 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.462 | 35.462 | 2.000 |
High resolution limit [Å] | 1.890 | 5.990 | 1.890 |
Rmerge | 0.027 | 0.214 | |
Total number of observations | 28628 | 76557 | |
Number of reflections | 188835 | ||
<I/σ(I)> | 14.9 | 23.6 | 3.6 |
Completeness [%] | 84.3 | 99.1 | 65.5 |
Redundancy | 3.9 | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 17% PEG3350, 1.6 M lithium chloride, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |