2VDF

Structure of the OpcA adhesion from Neisseria meningitidis determined by crystallization from the cubic mesophase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	37.860, 42.500, 150.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.227
Rwork	0.224
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k24
RMSD bond length	0.007
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.099	0.490
Number of reflections	18131
<I/σ(I)>	13.1	2.7
Completeness [%]	98.8	99.8
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	18%(V/V) PEG400, 0.1 M POTASSIUM SULFATE, 0.05 M HEPES, PH 7.0