4Y3I
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, low dose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.481, 51.917, 80.339 |
Unit cell angles | 90.00, 116.22, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.690 |
R-factor | 0.19206 |
Rwork | 0.190 |
R-free | 0.22614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 209C |
RMSD bond length | 0.022 |
RMSD bond angle | 2.363 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.738 |
High resolution limit [Å] | 1.690 | 1.694 |
Rmerge | 0.283 | |
Number of reflections | 34408 | |
<I/σ(I)> | 21.4 | 3.8 |
Completeness [%] | 97.9 | 80.82 |
Redundancy | 5.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 296 | 19% isopropanol, 19% PEG3350, 5% glycerol, 100 mM citric acid/NaOH |