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 |