43CA

CRYSTALLOGRAPHIC STRUCTURE OF THE ESTEROLYTIC AND AMIDOLYTIC 43C9 ANTIBODY WITH BOUND P-NITROPHENOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1998-02
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	106.250, 110.860, 244.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.300
R-factor	0.206 *
Rwork	0.206
R-free	0.25900
Structure solution method	OTHER
RMSD bond length	0.011
RMSD bond angle	1.690
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.078 *
Total number of observations	158471 *
Number of reflections	52873
<I/σ(I)>	15	2.12
Completeness [%]	82.1	0.2
Redundancy	3.0 *	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *		80% NACL, 50 MM MOPS PH 6.5, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		70-80 (%)
2	1	reservoir	MOPS	50 (mM)