6GOW

Crystal structure of the flagellin-FliS complex from Bacillus subtilis crystallized in spacegroup P22121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	50.860, 89.956, 116.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 2.100
R-factor	0.1769
Rwork	0.175
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5maw
RMSD bond length	0.003
RMSD bond angle	0.513
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.770	2.175
High resolution limit [Å]	2.100	2.100
Rmeas	0.083	0.155
Number of reflections	31628	3022
<I/σ(I)>	13.65	7.17
Completeness [%]	99.3	97.61
Redundancy	4.2	4
CC(1/2)	0.995	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Na-Cacodylate pH 6.5, 5% PEG 8000, 40 % MPD