5Z7Q

Crystal structure of Bacillus cereus flagellin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-15
Detector	ADSC QUANTUM 1
Wavelength(s)	1.00002
Spacegroup name	P 62
Unit cell lengths	112.724, 112.724, 40.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1867
Rwork	0.186
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8w
RMSD bond length	0.009
RMSD bond angle	1.164
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.066	0.046	0.245
Rmeas	0.073	0.052	0.271
Rpim	0.031	0.023	0.115
Number of reflections	25160	1244	1239
<I/σ(I)>	14.4
Completeness [%]	99.6	93.1	100
Redundancy	5.5	4.9	5.5
CC(1/2)		0.996	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M glycine, pH 10, 0.2M lithium sulfate, 1.2M sodium dihydrogen phosphate, and 0.8M di-potassium hydrogen phosphate