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 |