2GZS
Enterobactin Hydolase IroE Complex with DFP
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2006-02-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97960, 0.9798, 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 36.295, 38.361, 44.631 |
Unit cell angles | 113.10, 93.99, 98.08 |
Refinement procedure
Resolution | 20.000 - 1.400 |
Rwork | 0.174 |
R-free | 0.18600 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 0.035 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 79213 | |
Completeness [%] | 93.7 | 84.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 5-10% PEG 3350, 100 mM HEPES, 500 mM DFP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |