4FFD
Crystal structure of engineered protein. northeast structural genomics consortium target or48
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 | 2012-04-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.334, 71.367, 52.926 |
| Unit cell angles | 90.00, 104.83, 90.00 |
Refinement procedure
| Resolution | 31.810 - 2.310 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u26 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| 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 | 0.082 | 0.179 |
| Number of reflections | 10847 | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 7.5 | 0.1M PBS BUFFER PH 7.5 25% PEG 3350,0.1M Cyclohexanone, Microbatch under oil |
