6LCS

Crystal structure of 73MuL9 Fv-clasp fragment in complex with GA-pyridine analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	91.150, 91.150, 119.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.870 - 2.600
R-factor	0.216
Rwork	0.214
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xct
RMSD bond length	0.005
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.870	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.080	1.917
Number of reflections	16107	1155
<I/σ(I)>	32.7
Completeness [%]	100.0
Redundancy	25.4
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium dihydrogen phosphate, dipotassium hydrogenphosphate