6JU0

Mouse antibody 3.3 Fab in complex with PEG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.299, 177.347, 89.019
Unit cell angles	90.00, 91.99, 90.00

Refinement procedure

Resolution	24.503 - 2.601
R-factor	0.2117
Rwork	0.211
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w9d
RMSD bond length	0.002
RMSD bond angle	0.686
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.690
High resolution limit [Å]	2.600	2.600
Rpim	0.052	0.361
Number of reflections	64434	6420
<I/σ(I)>	15.1	2.2
Completeness [%]	98.6	98.5
Redundancy	3.1	3
CC(1/2)	0.928	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	PEG 4000, 2-propanol, PEG 2000 MME, Ni-citrate