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 |