1I9J

TESTOSTERONE COMPLEX STRUCTURE OF THE RECOMBINANT MONOCLONAL WILD TYPE ANTI-TESTOSTERONE FAB FRAGMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200HB
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	89.866, 95.564, 67.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 * - 2.600
R-factor	0.188 *
Rwork	0.188
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native anti-testosterone fab fragment
RMSD bond length	0.006
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.299
Total number of observations	52788 *
Number of reflections	16913
Completeness [%]	91.7	95.7
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	peg3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	drop	PEG3350	20 (%)
3	1	drop	PEG3350	15 (%)
4	1	drop		0.1 (M)
5	1	reservoir	Bis-Tris propane	0.1 (M)	pH5.6