6AUC

Artificial metalloproteins containing a Co4O4 active site - 2xm-Sav

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	57.580, 57.580, 183.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.950 - 1.460
R-factor	0.179
Rwork	0.178
R-free	0.20061
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcb
RMSD bond length	0.044
RMSD bond angle	5.915
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.950	1.490
High resolution limit [Å]	1.460	1.460
Number of reflections	27278
<I/σ(I)>	13.2
Completeness [%]	99.9
Redundancy	8.3
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.6 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0