4AIP

The FrpB iron transporter from Neisseria meningitidis (F3-3 variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-18
Detector	DECTRIS PILATUS
Spacegroup name	P 21 21 21
Unit cell lengths	85.320, 104.620, 269.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	134.550 - 2.400
R-factor	0.24456
Rwork	0.242
R-free	0.29639
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fhh
RMSD bond length	0.024
RMSD bond angle	2.136
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	134.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.110	0.380
Number of reflections	86235
<I/σ(I)>	10.2	2.3
Completeness [%]	90.7	83.1
Redundancy	3.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.6% (W/V) HEXYL-B-D-MALTOSIDE, 20 MM NA L-GLUTAMATE, 20 MM D, L-ALANINE, 20 MM GLYCINE, 20 MM LYSINE (RACEMIC), 20 MM SERINE (RACEMIC), 29 MM IMIDAZOLE, 11.6% (V/V) MPD, 11.6% (W/V) PEG 1000, 11.6% (W/V) PEG 3350 AND 71 MM MES (PH 6.0)