1AJ7

IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-05
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	46.100, 60.900, 73.100
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.217
Rwork	0.217
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gaf
RMSD bond length	0.008
RMSD bond angle	1.542
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.204
Total number of observations	80267 *
Number of reflections	23005
<I/σ(I)>	15	5.2
Completeness [%]	99.5	98.1
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		10-15 MG/ML FAB IN 100MM NACL, 10MM TRIS PH 8.0, 1MM METHIONINE, 1MM SODIUM AZIDE, 0.5 MM EDTA.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
10	1	reservoir	dioxane	1 (%)
2	1	drop		100 (mM)
3	1	drop	Tris	10 (mM)
4	1	drop	methionine	1 (mM)
5	1	drop	sodium azide	1 (mM)
6	1	drop	EDTA	0.5 (mM)
7	1	reservoir	ammonium acetate	0.1 (M)
8	1	reservoir	sodium cacodylate	0.1 (M)
9	1	reservoir	PEG4000	18 (%)