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