7Z3F

Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	73.477, 73.477, 112.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.260 - 1.700
R-factor	0.2375
Rwork	0.236
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7z3b
RMSD bond length	0.013
RMSD bond angle	1.689
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	34624	4976
<I/σ(I)>	6.1
Completeness [%]	99.7
Redundancy	5.6
CC(1/2)	0.987	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM potassium acetate, 10mM potassium chloride, 50mM MES, 50mM Tris, 50mM Hepes, 34-44% PEG3000