3SWJ

Crystal structure of Campylobacter jejuni ChuZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-31
Detector	Mar225
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	106.474, 106.698, 52.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.407 - 2.409
R-factor	0.2091
Rwork	0.206
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.978	42.895	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.037	0.473
Rmeas		0.042	0.527
Rpim		0.019	0.226
Total number of observations		1740	9050
Number of reflections	11858
<I/σ(I)>	12.4	23.7	3.3
Completeness [%]	99.7	93.5	99.9
Redundancy	5.3	4.5	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	24% PEG 400, 0.1M MES, 0.1M imidazole, 5mM azide, pH 6.5, microbatch, temperature 293K