4U9C

STRUCTURE OF THE LBPB N-LOBE FROM NEISSERIA MENINGITIDIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1159
Spacegroup name	P 1 21 1
Unit cell lengths	59.870, 65.020, 83.390
Unit cell angles	90.00, 105.87, 90.00

Refinement procedure

Resolution	35.095 - 1.995
R-factor	0.175
Rwork	0.173
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.111
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.700	62.790	2.000
High resolution limit [Å]	1.995	10.910	1.995
Rmerge	0.068	0.026	0.359
Number of reflections	43471
<I/σ(I)>	11.6	18.4
Completeness [%]	96.1	97.8	92.1
Redundancy	3.5	2.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	PEG 4000