1AXS

MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	94
Detector technology	IMAGE PLATE
Collection date	1997-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	42.780, 81.500, 128.200
Unit cell angles	90.00, 93.43, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.2
Rwork	0.200
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fab
RMSD bond length	0.008
RMSD bond angle	30.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	0.142
Number of reflections	24768
<I/σ(I)>	16	6
Completeness [%]	90.9	87.5
Redundancy	4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		PROTEIN WAS CRYSTALLIZED FROM 25%PEG 1000, 0.1 M SODIUM ACETATE, PH 4.6, 0.3 M CDCL2 AND 0.1 M AMMONIUM SULFATE IN THE PRESENCE OF 2MM HAPTEN.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG1000	25 (%)
2	1	drop	sodium acetate	0.1 (M)
3	1	drop		0.3 (M)
4	1	drop	ammonium sulfate	0.1 (M)
5	1	drop	hapten 1	2 (mM)