6UN0
Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct with 3-Br-p-coumaric acid chromophore
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 | 2019-07-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.72929 |
Spacegroup name | P 63 |
Unit cell lengths | 65.891, 65.891, 40.685 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.360 - 0.850 |
R-factor | 0.1243 |
Rwork | 0.124 |
R-free | 0.13330 |
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] | 23.360 | 23.360 | 0.870 |
High resolution limit [Å] | 0.850 | 3.800 | 0.850 |
Rmerge | 0.077 | 0.040 | 1.556 |
Rmeas | 0.079 | 0.041 | 1.640 |
Total number of observations | 1436878 | ||
Number of reflections | 88292 | 1044 | 6469 |
<I/σ(I)> | 17.76 | 73.16 | 1.2 |
Completeness [%] | 99.9 | 99.7 | 99.4 |
Redundancy | 16.274 | 20.15 | 10.1 |
CC(1/2) | 1.000 | 0.999 | 0.527 |
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 |