6GAQ

Crystal structure of oxidised Flavodoxin 2 from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	101.010, 125.451, 59.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.725 - 2.500
R-factor	0.238
Rwork	0.235
R-free	0.29320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fsg
RMSD bond length	0.002
RMSD bond angle	0.543
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.730	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.175	0.995
Rmeas	0.200	1.133
Number of reflections	13361	6460
<I/σ(I)>	6.4	1.6
Completeness [%]	99.8	99.9
Redundancy	4.1	4.3
CC(1/2)	0.992	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M calcium acetate, 40% (v/v) PEG300 and 0.1M sodium cacodylate pH 6.5