7MFR

Crystal Structure of a Fab fragment bound to peptide GGM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9876
Spacegroup name	P 43 21 2
Unit cell lengths	163.797, 163.797, 127.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.083 - 2.848
R-factor	0.2133
Rwork	0.211
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ma3
RMSD bond length	0.009
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.12-2829_final)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.848	6.140	2.850
Rmerge	0.128	0.059
Rmeas	0.133	0.062
Rpim	0.039	0.018	0.344
Number of reflections	40950	4373	4019
<I/σ(I)>	6.1
Completeness [%]	99.9	100	99.2
Redundancy	12.5	12.1	11.9
CC(1/2)		0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2 M Ammonium Sulfate, 0.1M MES pH 6.5