5N4J

human Fab fragment 10C3 against NHBA from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979788
Spacegroup name	P 21 21 21
Unit cell lengths	69.910, 79.830, 82.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.190 - 1.503
R-factor	0.1805
Rwork	0.179
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h8w
RMSD bond length	0.010
RMSD bond angle	1.272
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.190	1.590
High resolution limit [Å]	1.503	1.500
Rmerge	0.051	1.130
Rmeas	0.059	1.160
Rpim	0.031
Number of reflections	73404
<I/σ(I)>	14.88	1.35
Completeness [%]	99.0	97.7
Redundancy	3.6	6.3
CC(1/2)	0.999	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.17 M ammonium sulfate, 15% v/v glycerol, 25.5% w/v PEG 4000