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 |
