1QF0

THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW21B
Synchrotron site	LURE
Beamline	DW21B
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	1996-12
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
格子定数 [Å]	93.370, 93.370, 131.790
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	10.000 - 2.200
R因子	0.161 *
Rwork	0.161
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lnf
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	23.740 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	19.300	2.450
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.101 *
独立反射数	17923
<I/σ(I)>	7.3	3.3
完全性 [%]	99.6	99.6
冗長性	4.1	4.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	other *	8		Matthews, B.W., (1972) Nat. New. Biol., 238, 37. *