6LFX

Crystal structure of PCB4scFv(hN56D) in complex with PCB#77

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	2015-11-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	I 4
Unit cell lengths	91.842, 91.842, 53.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.680 - 1.430
R-factor	0.137
Rwork	0.136
R-free	0.16560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3esu
RMSD bond length	0.009
RMSD bond angle	1.124
Data reduction software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.680	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.065	0.457
Number of reflections	41553	2078
<I/σ(I)>	40.4
Completeness [%]	100.0
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	CHES, 30% PEG 3350