3TTV
Structure of the F413E 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 | 2011-06-29 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.560, 133.050, 122.640 |
Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
Resolution | 32.163 - 1.450 |
R-factor | 0.1465 |
Rwork | 0.145 |
R-free | 0.17180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.027 |
RMSD bond angle | 2.663 |
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] | 32.163 | 32.163 | 1.530 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.038 | 0.492 | |
Total number of observations | 60660 | 215438 | |
Number of reflections | 482858 | ||
<I/σ(I)> | 7.9 | 16.4 | 1.5 |
Completeness [%] | 96.9 | 99.4 | 92 |
Redundancy | 3.4 | 3.8 | 3.2 |
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 |