3ZHK

The crystal structure of single domain antibody 2x1 scaffold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	95
Detector technology	CCD
Collection date	2012-07-06
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	104.415, 55.701, 74.539
Unit cell angles	90.00, 126.44, 90.00

Refinement procedure

Resolution	31.975 - 1.962
R-factor	0.2552
Rwork	0.253
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.186
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.100	0.310
Number of reflections	24632
<I/σ(I)>	39.1	9.3
Completeness [%]	99.2	92.5
Redundancy	6.9	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				37% PEG8K, 0.2M AMMONIUM SULFATE