7U2F
G116F Pseudomonas aeruginosa azurin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 49.172, 49.172, 261.961 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.580 - 2.200 |
R-factor | 0.2247 |
Rwork | 0.221 |
R-free | 0.25570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu |
RMSD bond length | 0.003 |
RMSD bond angle | 0.546 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.580 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 10424 | 1006 |
<I/σ(I)> | 20.78 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 18 | |
CC(1/2) | 0.998 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 3 uL 1.4 mM in 100 mM sodium acetate, pH 5.6 + 1 uL reservoir buffer (20% PEG4000, 100 mM Tris-HCl, pH 8.0, 10 mM copper(II) sulfate, 100 mM lithium nitrate) against 250 uL reservoir buffer |