7SPX
Crystal structure of photoactive yellow protein (PYP); F28oCNF construct
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 | 2021-06-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.7749 |
Spacegroup name | P 63 |
Unit cell lengths | 66.028, 66.028, 40.637 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.120 - 0.970 |
R-factor | 0.1446 |
Rwork | 0.143 |
R-free | 0.16630 |
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] | 40.640 | 40.640 | 0.980 |
High resolution limit [Å] | 0.970 | 5.290 | 0.970 |
Rmerge | 0.081 | 0.025 | 1.813 |
Rmeas | 0.084 | 0.026 | 1.911 |
Rpim | 0.023 | 0.007 | 0.591 |
Total number of observations | 784978 | 5688 | 23433 |
Number of reflections | 59975 | 403 | 2474 |
<I/σ(I)> | 17.6 | 83.8 | 1.2 |
Completeness [%] | 99.2 | 99.8 | 83.1 |
Redundancy | 13.1 | 14.1 | 9.5 |
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; 2.2 M ammonium sulfate |