3TTT
Structure of F413Y 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 | 2010-02-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.560, 133.330, 122.160 |
Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
Resolution | 29.232 - 1.580 |
R-factor | 0.1586 |
Rwork | 0.157 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.024 |
RMSD bond angle | 2.500 |
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] | 29.232 | 29.232 | 1.670 |
High resolution limit [Å] | 1.580 | 5.010 | 1.580 |
Rmerge | 0.079 | 0.564 | |
Total number of observations | 56262 | 223239 | |
Number of reflections | 376838 | ||
<I/σ(I)> | 7.3 | 7 | 1.2 |
Completeness [%] | 98.9 | 98.2 | 98.6 |
Redundancy | 4.3 | 4.7 | 4.1 |
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 |