4ENP
Structure of E530A variant 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 | 2011-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.330, 133.110, 122.740 |
| Unit cell angles | 90.00, 109.41, 90.00 |
Refinement procedure
| Resolution | 35.240 - 1.500 |
| R-factor | 0.1388 |
| Rwork | 0.138 |
| R-free | 0.16200 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.650 |
| Data scaling software | SCALA (3.3.9) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 133.110 | 35.245 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.048 | 0.288 | |
| Total number of observations | 53429 | 238916 | |
| Number of reflections | 449780 | ||
| <I/σ(I)> | 9.4 | 12.8 | 2.4 |
| Completeness [%] | 99.9 | 98.3 | 100 |
| Redundancy | 3.8 | 3.7 | 3.6 |
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 |
