3DF7
Crystal structure of a putative ATP-grasp superfamily protein from Archaeoglobus fulgidus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2008-06-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.492, 60.450, 119.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.200 - 1.870 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.22600 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.060 | 0.217 |
Number of reflections | 25633 | |
<I/σ(I)> | 12.3 | 5 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 13.9 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M sodium cacodylate (pH 6.5), 30% PEG8000, 0.2M sodium acetate , VAPOR DIFFUSION, SITTING DROP, temperature 298K |