3TTX
Structure of the F413K variant of E. coli KatE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.500, 132.960, 122.030 |
Unit cell angles | 90.00, 109.69, 90.00 |
Refinement procedure
Resolution | 35.182 - 1.740 |
R-factor | 0.1477 |
Rwork | 0.146 |
R-free | 0.18490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.027 |
RMSD bond angle | 2.029 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.182 | 35.182 | 1.830 |
High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
Rmerge | 0.051 | 0.458 | |
Total number of observations | 35391 | 125281 | |
Number of reflections | 278239 | ||
<I/σ(I)> | 9.7 | 11.3 | 1.6 |
Completeness [%] | 97.2 | 99.6 | 89.8 |
Redundancy | 3.7 | 3.8 | 3.3 |
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 |