4MIR

The structure of Brucella abortus PliC in the hexagonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	58.395, 58.395, 364.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.752 - 2.400
R-factor	0.2103
Rwork	0.207
R-free	0.27030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.155
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	2.700	2.440
High resolution limit [Å]	2.400	2.640	2.400
Number of reflections	15422
Completeness [%]	98.5	98.7	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	287.15	0.1M sodium acetate, 2.0M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 287.15K