3BB6
Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.943, 82.472, 109.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.26100 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.360 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.536 |
| Number of reflections | 51838 | |
| <I/σ(I)> | 17.9 | 3.5 |
| Completeness [%] | 96.7 | 100 |
| Redundancy | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | 293 | PEG 8000, 0.1M NaNO3, 0.1M MES, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
