7TC6
All Phe-Azurin variant - F15W
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03324 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.782, 59.525, 74.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.140 - 1.850 |
Rwork | 0.189 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.529 |
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] | 44.140 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.038 | 0.213 |
Rmeas | 0.054 | |
Number of reflections | 20615 | 999 |
<I/σ(I)> | 11.4 | 3.1 |
Completeness [%] | 96.7 | 76.6 |
Redundancy | 1.9 | 1.8 |
CC(1/2) | 0.997 | 0.890 |
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) |