7Z3I

Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, M171A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	73.747, 73.747, 113.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 1.820
R-factor	0.1606
Rwork	0.159
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7z3b
RMSD bond length	0.013
RMSD bond angle	1.681
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]	50.000	1.920
High resolution limit [Å]	1.820	1.820
Number of reflections	28048	4087
<I/σ(I)>	14.6
Completeness [%]	98.3
Redundancy	7.4
CC(1/2)	0.998	0.616

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