8E03
Crystal structure of photoactive yellow protein (PYP); F96oCNF M100D 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 | 65.713, 65.713, 40.994 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.860 - 1.240 |
R-factor | 0.1499 |
Rwork | 0.148 |
R-free | 0.18060 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.260 | 33.260 | 1.260 |
High resolution limit [Å] | 1.240 | 6.800 | 1.240 |
Rmerge | 0.124 | 0.045 | 3.078 |
Rmeas | 0.126 | 0.045 | 3.141 |
Rpim | 0.019 | 0.007 | 0.596 |
Total number of observations | 1164451 | 7797 | 26509 |
Number of reflections | 28227 | 197 | 1033 |
<I/σ(I)> | 17.6 | 67.5 | 1.2 |
Completeness [%] | 98.7 | 99.6 | 74 |
Redundancy | 41.3 | 39.6 | 25.7 |
CC(1/2) | 1.000 | 1.000 | 0.443 |
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; 2.4 M ammonium sulfate |