1F58

IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1994-11-15
Detector	RIGAKU RAXIS II
Spacegroup name	C 1 2 1
Unit cell lengths	72.890, 71.910, 88.250
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	44.000 - 2.000
R-factor	0.196
Rwork	0.196
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FAB 58.2 PORTION OF FAB 58.2/SER-LOOP PEPTIDE COMPLEX
RMSD bond length	0.010
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.600	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.106	0.547
Total number of observations	183103 *
Number of reflections	30460	2014 *
<I/σ(I)>	29.5	3.4
Completeness [%]	99.6	98.5
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.3	22.5 *	pH 6.3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG10000	16 (%)
2	1	reservoir	imidazole malate	0.2 (M)
3	1	drop	Fab	15 (mg/ml)