8F5L

Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	48.171, 66.730, 69.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.090 - 1.150
R-factor	0.1592
Rwork	0.159
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fqy
RMSD bond length	0.009
RMSD bond angle	1.115
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.150	1.150
Number of reflections	78418	3045
<I/σ(I)>	35.9	3.62
Completeness [%]	97.3
Redundancy	6.2
CC(1/2)		0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	22-25 % (w/v) PEG 3350, 0.1 M Hepes, pH 7.0, 0.2 M sodium formate