2F58

IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120) (MN ISOLATE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1992-05-15
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 2
Unit cell lengths	96.080, 114.720, 49.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 - 2.800
R-factor	0.185
Rwork	0.185
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FAB 58.2 PORTION OF FAB 58.2/SER-LOOP PEPTIDE COMPLEX
RMSD bond length	0.012
RMSD bond angle	1.900
Data reduction software	UCSD-system
Data scaling software	UCSD-system
Phasing software	MERLOT
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	3.020
High resolution limit [Å]	2.800	2.800
Number of reflections	12923
<I/σ(I)>	7.5	1
Completeness [%]	91.9	82.8
Redundancy	3.4	1.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		16% PEG4000, 0.2M IMIDAZOLE MALATE, PH 5.0