8E02
Crystal structure of photoactive yellow protein (PYP); F96oCNF T103V construct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-26 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.7126 |
Spacegroup name | P 63 |
Unit cell lengths | 66.305, 66.305, 40.692 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.710 - 1.090 |
R-factor | 0.139 |
Rwork | 0.138 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nwz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.200 | 1.110 |
High resolution limit [Å] | 1.090 | 1.090 |
Rmerge | 0.178 | 4.225 |
Rmeas | 0.180 | 4.320 |
Rpim | 0.028 | 0.855 |
Total number of observations | 1730378 | 35988 |
Number of reflections | 41825 | 1483 |
<I/σ(I)> | 15.8 | 1.6 |
Completeness [%] | 98.5 | 70.7 |
Redundancy | 41.4 | 24.3 |
CC(1/2) | 1.000 | 0.386 |
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; 2.0 M ammonium sulfate |