3ME8
Crystal structure of putative electron transfer 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 | 68.574, 134.767, 37.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22000 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.410 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| 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 | 0.058 | 0.028 | 0.570 |
| Number of reflections | 53622 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 94.1 | 99.6 | 65.4 |
| Redundancy | 3.7 | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | 100mM CHES, 1M Sodium Citrate dihydrate, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
