4ML7

Crystal structure of Brucella abortus PliC in complex with human lysozyme

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 2
Unit cell lengths	100.253, 88.984, 66.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.982 - 1.800
R-factor	0.1873
Rwork	0.185
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	2.080	1.830
High resolution limit [Å]	1.800	2.030	1.800
Number of reflections	53896
Completeness [%]	96.8	97.7	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	287.15	0.1M sodium citrate tribasic, 40% tert-butanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 287.15K