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 |