1I3G

CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	62.200, 62.200, 136.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.440
R-factor	0.175 *
Rwork	0.175
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	anti-N9-neuraminidase antibody NC41/anti-lysozyme antibody D11.15
RMSD bond length	0.008
RMSD bond angle	1.811 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.440
Rmerge	NaN *
Total number of observations	41050 *
Number of reflections	9809
<I/σ(I)>	11
Completeness [%]	89.2	71.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	Ammonium Sulfate,potassium phosphate, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	ammonium sulfate	1.75 (M)
3	1	drop	phosphate	50 (mM)	pH6.5
4	1	reservoir	MPD	5 (%(v/v))