6FSG

Crystal structure of oxidised Flavodoxin 1 from Bacillus cereus (1.27 A resolution)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.6983
Spacegroup name	P 21 2 21
Unit cell lengths	38.920, 45.143, 82.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.195 - 1.270
R-factor	0.1522
Rwork	0.151
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wsb
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]	35.200	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.050	0.073
Rmeas	0.055	0.085
Rpim	0.023	0.042
Number of reflections	38867	1722
<I/σ(I)>	19.7	9.8
Completeness [%]	99.3	90.8
Redundancy	5.2	3.6
CC(1/2)	0.998	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	3.6 M ammonium sulfate and 0.1 M citric acid pH 4 (final pH 5)