5N4G

human Fab fragment 12E1 against NHBA from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97932
Spacegroup name	P 21 21 2
Unit cell lengths	64.880, 82.160, 100.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.990 - 2.750
R-factor	0.19
Rwork	0.186
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4imk
RMSD bond length	0.010
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.710	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.122	0.806
Rpim	0.091	0.605
Number of reflections	14236
<I/σ(I)>	9.9	1.6
Completeness [%]	98.6	97.5
Redundancy	4.6	4.7
CC(1/2)	0.993	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	0.2 M potassium sodium tartrate 0.1 M sodium citrate 2 M ammonium sulphate