4B7O

THE FrpB IRON TRANSPORTER FROM NEISSERIA MENINGITIDIS (F5-1 VARIANT) APOPROTEIN FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-11
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	175.210, 79.100, 74.750
Unit cell angles	90.00, 97.58, 90.00

Refinement procedure

Resolution	37.050 - 2.320
R-factor	0.23559
Rwork	0.233
R-free	0.28067
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4aiq
RMSD bond length	0.017
RMSD bond angle	1.877
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.380
High resolution limit [Å]	2.320	2.320
Rmerge	0.050	0.300
Number of reflections	43114
<I/σ(I)>	9.8	2
Completeness [%]	98.2	98.8
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20MM NA L-GLUTAMATE, 20MM D, L-ALANINE, 20MM GLYCINE, 20MM LYSINE (RACEMIC), 20MM SERINE (RACEMIC), 39.8MM IMIDAZOLE, 24% (W/V) PEGMME550, 12% (W/V) PEG 20,000 AND 61.2MM MES/NAOH (PH 6.5)