3ZHD

The crystal structure of single domain antibody 8-4 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
Collection date	2012-07-06
Spacegroup name	P 3 2 1
Unit cell lengths	87.079, 87.079, 55.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.312 - 1.962
R-factor	0.1806
Rwork	0.178
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.266
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	0.110	0.420
Number of reflections	17772
<I/σ(I)>	48.4	10.8
Completeness [%]	99.3	86.7
Redundancy	21.8	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		27% PEG4000, 0.1M SODIUM ACETATE, PH4.6, 0.2M AMMONIUM SULFATE