1H8S

Three-dimensional structure of anti-ampicillin single chain Fv fragment complexed with the hapten.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	58.930, 89.270, 94.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.940 - 2.400
R-factor	0.204
Rwork	0.204
R-free	0.27300
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	27.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	2.470
High resolution limit [Å]	2.400	2.400
Rmerge	0.082 *	0.225 *
Total number of observations	93952 *
Number of reflections	20445
<I/σ(I)>	10	3.2
Completeness [%]	98.0	82.8 *
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8 *	20 *	pH 5.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.85 (mg/ml)
2	1	reservoir	ammonium sulfate	1.9-2.0 (M)
3	1	reservoir	sodium acetate	100 (mM)	pH5.8
4	1	reservoir	ampicillin	33 (mM)