3P9R
Structure of I274G 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 | 2009-08-27 |
Detector | Marmosaic |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.410, 133.180, 122.740 |
Unit cell angles | 90.00, 109.21, 90.00 |
Refinement procedure
Resolution | 35.240 - 1.900 |
R-factor | 0.1357 |
Rwork | 0.133 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.024 |
RMSD bond angle | 1.904 |
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] | 35.242 | 35.242 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.051 | 0.533 | |
Total number of observations | 27385 | 117169 | |
Number of reflections | 221203 | ||
<I/σ(I)> | 8.7 | 11.6 | 1.3 |
Completeness [%] | 99.4 | 99.5 | 98.7 |
Redundancy | 3.8 | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 17% PEG3350, 1.6 M LiCl, 0.1 M Tris, pH 9.0, vapor diffusion, hanging drop, temperature 293K |