4ILS
Crystal structure of engineered protein. northeast structural genomics Consortium target or117
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 | 2012-09-25 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 112.852, 112.852, 232.186 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.370 - 2.500 |
| R-factor | 0.22057 |
| Rwork | 0.218 |
| R-free | 0.26473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uw6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.373 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.082 | 0.635 |
| Number of reflections | 52922 | |
| <I/σ(I)> | 19 | |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 7.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 277 | 2.88M Potassium acetate (KC2H3O2), 0.1 M MES pH 6, Microbatch under oil method, temperature 277K |
