4ENQ
Structure of E530D variant E. coli KatE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-01-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.380, 133.090, 122.340 |
Unit cell angles | 90.00, 109.68, 90.00 |
Refinement procedure
Resolution | 40.510 - 1.900 |
R-factor | 0.1607 |
Rwork | 0.158 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.020 |
RMSD bond angle | 2.052 |
Data scaling software | SCALA (3.3.9) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 115.194 | 40.512 | 2.000 |
High resolution limit [Å] | 1.900 | 6.000 | 1.900 |
Rmerge | 0.027 | 0.245 | |
Total number of observations | 15049 | 60027 | |
Number of reflections | 204992 | ||
<I/σ(I)> | 9 | 12.1 | 3.1 |
Completeness [%] | 92.4 | 92.2 | 90.5 |
Redundancy | 2 | 2.3 | 2.1 |
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 |