3A8J
Crystal Structure of ET-EHred complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-05 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 1 |
Unit cell lengths | 54.024, 88.527, 97.237 |
Unit cell angles | 91.51, 102.16, 89.66 |
Refinement procedure
Resolution | 44.420 - 1.980 |
R-factor | 0.1757 |
Rwork | 0.172 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3AB9 (EHred) 1VLO (ET) |
RMSD bond length | 0.022 |
RMSD bond angle | 1.799 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 1.980 | 2.000 |
Rmerge | 0.059 | 0.346 |
Number of reflections | 112820 | |
<I/σ(I)> | 15.3 | 2.4 |
Completeness [%] | 98.0 | |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 288 | 16% PEG8000, 0.04M KH2PO4, 20% Glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |