3ZHL

The crystal structure of single domain antibody 8-14 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	2012-05-18
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	56.207, 56.207, 81.526
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.103 - 2.470
R-factor	0.194
Rwork	0.192
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.120
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	0.570
Number of reflections	11157
<I/σ(I)>	44.3	3.4
Completeness [%]	99.6	92.9
Redundancy	20.4	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		0.1M BIS-TRIS;PH5.5, 3M SODIUM CHLORIDE, 5% ETHYL ACETATE