3ME7
Crystal structure of putative electron transport protein aq_2194 from Aquifex aeolicus VF5
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 68.090, 134.930, 37.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.830 - 1.500 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.21900 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.270 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.073 | 0.033 | 0.588 |
Number of reflections | 53388 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 97.0 | 99.7 | 82.8 |
Redundancy | 6.4 | 7.6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |