3A2S

Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex with sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Collection date	2009-01-20
Wavelength(s)	0.978
Spacegroup name	P 63
Unit cell lengths	82.773, 82.773, 106.433
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.380 - 2.200
R-factor	0.21148
Rwork	0.209
R-free	0.25575
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3A2R
RMSD bond length	0.010
RMSD bond angle	1.228
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.200	2.200
Number of reflections	20889
<I/σ(I)>	22	2.9
Completeness [%]	99.4	96.1
Redundancy	5.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	100mM MES, 50mM CsCl, 28-32% Jeffamine M-600, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K