5LJP

E20K/I59A/E72K/I92A/D126K/A142V FLAVODOXIN FROM ANABAENA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979100
Spacegroup name	P 21 21 21
Unit cell lengths	37.919, 62.911, 64.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.090 - 1.100
R-factor	0.1609
Rwork	0.160
R-free	0.17605
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flv
RMSD bond length	0.016
RMSD bond angle	1.699
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.650	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.047	0.431
Number of reflections	62821
<I/σ(I)>	18.1	4.6
Completeness [%]	99.0	97.4
Redundancy	7.5	7.5
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG 4000 26 % and TRIS/HCl 0,1 M, pH 8.0