1H8O

Three-dimensional structure of anti-ampicillin single chain Fv fragment.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	59.690, 89.850, 97.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.940 - 2.750
R-factor	0.178
Rwork	0.178
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	26.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.110 *	0.400 *
Total number of observations	81293 *
Number of reflections	14189
<I/σ(I)>	8	2
Completeness [%]	98.8	90.7
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	20 *	pH 5.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	PEG2000 MME	26 (%(w/v))
3	1	reservoir	ammonium sulfate	200 (mM)
4	1	reservoir	sodium acetate	100 (mM)	pH5.0