7TC5
All Phe-Azurin variant - F15Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.451, 53.830, 133.791 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.970 - 1.450 |
R-factor | 0.1845 |
Rwork | 0.183 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.748 |
Data scaling software | Aimless |
Phasing software | MOLREP (11.0) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.600 | 1.470 |
High resolution limit [Å] | 1.400 | 1.450 |
Rmerge | 0.068 | 1.040 |
Number of reflections | 45146 | 2184 |
<I/σ(I)> | 11.5 | 1.7 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.999 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mg/mL protein in 0.1 M NaOAc (pH 5.0), 26.5-29% PEG 4000, 100 mM lithium nitrate, 10 mM copper sulfate, and 100 mM tris (pH 8.0) |