6F73

Crystal structure of VAO-type flavoprotein MtVAO615 at pH 5.0 from Myceliophthora thermophila C1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2015-01-26
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	62.417, 115.959, 198.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.000 - 2.220
R-factor	0.19489
Rwork	0.193
R-free	0.23467
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ipi 2bvf 2y08 3w8w 3rj8
RMSD bond length	0.009
RMSD bond angle	1.333
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.000	2.270
High resolution limit [Å]	2.220	2.220
Rmerge	0.147	0.514
Rpim	0.081	0.225
Number of reflections	71982	4265
<I/σ(I)>	12.9	3.7
Completeness [%]	99.5	92.8
Redundancy	8	6.7
CC(1/2)	0.995	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	20% PEG6000, , 0.2 M NaCl, 0.1 M NaAcetate pH 5.0