6BQB

MGG4 Fab in complex with peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 21 21 21
Unit cell lengths	55.782, 68.062, 148.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.143 - 1.769
R-factor	0.1678
Rwork	0.166
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.140	1.800
High resolution limit [Å]	1.770	1.770
Rpim	0.038	0.480
Number of reflections	56018
<I/σ(I)>	21	1.6
Completeness [%]	98.8
Redundancy	7.2
CC(1/2)	0.947	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.04M KH2PO4 20% Glycerol 16% PEG8000