4MIS

The structure of Brucella abortus PliC in the orthorombic 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	2012-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	91.283, 64.448, 47.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.601 - 2.000
R-factor	0.2171
Rwork	0.215
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.093
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]	50.000	2.150	2.030
High resolution limit [Å]	2.000	2.110	2.000
Number of reflections	18850
Completeness [%]	96.1	91.1	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	287.15	1.9M ammonium sulfate, 0.1M Tris-HCl, 10% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 287.15K