4I86

Crystal structure of PilZ domain of CeSA from cellulose synthesizing bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	39.360, 59.500, 78.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.153 - 2.098
R-factor	0.2167
Rwork	0.214
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((AutoMR: 1.7.1_743))
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.220
High resolution limit [Å]	2.098	2.100
Rmerge	0.081	0.618
Number of reflections	11236
<I/σ(I)>	24.52	4.5
Completeness [%]	99.9	99.7
Redundancy	10.7	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	293	0.1M phosphate-citrate, 30%(v/v) PEG300, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K