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

実験手法	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
格子定数 [Å]	72.890, 71.910, 88.250
格子定数 [度]	90.00, 98.31, 90.00

精密化法

残基	44.000 - 2.000
R因子	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
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	X-PLOR (3.851)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	43.600	2.050
分解能 [Å] (高)	2.000	2.000
Rmerge_l_obs	0.106	0.547
Total number of observations	183103 *
独立反射数	30460	2014 *
<I/σ(I)>	29.5	3.4
完全性 [%]	99.6	98.5
冗長性	10.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	6.3	22.5 *	pH 6.3

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	reservoir	PEG10000	16 (%)
2	1	reservoir	imidazole malate	0.2 (M)
3	1	drop	Fab	15 (mg/ml)