3NNS
BeF3 Activated DrrB Receiver Domain
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.320, 37.492, 91.478 |
| Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.23100 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.122 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.178 |
| Number of reflections | 14809 | |
| <I/σ(I)> | 20.4 | 5.9 |
| Completeness [%] | 88.5 | 73.1 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 10% 2-propanol, 0.2M lithium sulfate, 0.1M potassium-citrate, pH 4.2, 6mM beryllium chloride, 50mM sodium fluoride, 10mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
