4MHU
Crystal structure of EctD from S. alaskensis with bound Fe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2013-05-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.165, 87.519, 96.045 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.560 |
| R-factor | 0.20529 |
| Rwork | 0.202 |
| R-free | 0.26624 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.630 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Number of reflections | 20668 | |
| Completeness [%] | 99.6 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 273 | 100 mM MES (pH 6.0), 200 mM Ca-acetate, 15-30 % (w/v) PEG 400 and 1.5-3.5 mM n-dodecyl-N N-dimethylglycine, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
