6UN2
Crystal structure of photoactive yellow protein (PYP); C69U construct (selenocysteine incorporation)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.72929 |
Spacegroup name | P 63 |
Unit cell lengths | 65.859, 65.859, 40.531 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.323 - 0.970 |
R-factor | 0.1349 |
Rwork | 0.134 |
R-free | 0.15670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nwz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13rc2_2986) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.323 | 23.323 | 1.000 |
High resolution limit [Å] | 0.970 | 4.340 | 0.970 |
Rmerge | 0.082 | 0.032 | 2.729 |
Rmeas | 0.083 | 0.033 | 2.764 |
Total number of observations | 2385798 | ||
Number of reflections | 59305 | 705 | 4304 |
<I/σ(I)> | 23.8 | 125.38 | 1.15 |
Completeness [%] | 99.9 | 99.9 | 98.1 |
Redundancy | 40.229 | 40.515 | 38.654 |
CC(1/2) | 1.000 | 1.000 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20 mM potassium phosphate, pH 6.0, 1 M NaCl, 1.9 M ammonium sulfate |