3DWB
structure of human ECE-1 complexed with phosphoramidon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 120.880, 120.880, 192.346 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.380 |
R-factor | 0.26627 |
Rwork | 0.262 |
R-free | 0.34506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dmt |
RMSD bond length | 0.016 |
RMSD bond angle | 1.525 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.380 |
Number of reflections | 33656 |
Completeness [%] | 98.7 |
Redundancy | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 294 | 30% Jeffamine D2001, 0.1M bis Tris, pH 6.0, VAPOR DIFFUSION, temperature 294K |