1KT2

CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IEK BOUND TO MOTH CYTOCHROME C PEPTIDE

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	STORAGE PHOSPHORS
Collection date	1996-01-01
Detector	CUSTOM-MADE
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
格子定数 [Å]	147.790, 56.930, 115.990
格子定数 [度]	90.00, 92.12, 90.00

精密化法

残基	20.000 * - 2.800
R因子	0.221 *
Rwork	0.220
R-free	0.29300 *
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.007
結合角の平均二乗偏差(RMSD) [度]	0.397 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.950
分解能 [Å] (高)	2.800	2.800
Rmerge_l_obs	0.097 *	0.317 *
独立反射数	22827	3185 *
完全性 [%]	95.2	93.4
冗長性	2.5 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5.5 *	298	PEG4000, 2-propanol, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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	drop	protein	11 (mg/ml)
2	1	reservoir	PEG4000	12 (%)
3	1	reservoir	2-propanol	12 (%)
4	1	reservoir	sodium acetate	60 (mM)	pH5.5