35C8

CATALYTIC ANTIBODY 5C8, FAB-INHIBITOR COMPLEX

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	97
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	111.200, 79.900, 65.000
Unit cell angles	90.00, 118.20, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.198 *
Rwork	0.206
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FREE FAB 5C8
RMSD bond length	0.009
RMSD bond angle	30.000 *
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]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.065 *	0.387 *
Total number of observations	249541 *
Number of reflections	33264
<I/σ(I)>	20	3.2
Completeness [%]	98.0	97.6
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.5	22.5 *	pH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	sodium acetate	0.1 (M)
3	1	reservoir	PEG10000	14 (%)
4	1	reservoir	Tris-malate	0.2 (M)