1QKZ

Fab fragment (MN14C11.6) in complex with a peptide antigen derived from Neisseria meningitidis P1.7 serosubtype antigen and domain II from Streptococcal protein G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	43.482, 63.099, 89.374
Unit cell angles	90.00, 81.54, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.209
Rwork	0.205
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igc
RMSD bond length	0.009
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.040
High resolution limit [Å]	1.950	1.950
Rmerge	0.037 *	0.125 *
Total number of observations	180259 *
Number of reflections	34633
<I/σ(I)>	17.2
Completeness [%]	98.9	96
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	293 *	pH 5.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Fab	11 (mg/ml)
2	1	drop	protein G	8.1 (mg/ml)
3	1	drop	peptide	2.2 (mg/ml)
4	1	reservoir	sodium acetate	50 (mM)
5	1	reservoir	PEG6000	24 (%(w/v))