2WEA

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT

「1WEA」から置き換えられました

Experimental procedure

Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	110
Detector technology	AREA DETECTOR
Collection date	1997-03-22
Detector	SIEMENS-NICOLET X100
Spacegroup name	C 1 2 1
格子定数 [Å]	96.330, 46.270, 64.590
格子定数 [度]	90.00, 115.10, 90.00

精密化法

残基	40.000 - 1.250
R因子	0.149
Rwork	0.145
R-free	0.19200 *
Structure solution method	DIFFERENCE FOURIER METHOD
結合長の平均二乗偏差(RMSD) [Å]	0.014
結合角の平均二乗偏差(RMSD) [度]	1.454
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	TNT

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	40.000	1.290
分解能 [Å] (高)	1.250	1.250
Rmerge_l_obs	0.059	0.148
Total number of observations	203415 *
独立反射数	58629
<I/σ(I)>	41.28	5.18
完全性 [%]	82.2	40.47
冗長性	3.47	2.05

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	4.4	18-22 *	used macroseeding, Fraser, M.E., (1992) Biochemistry, 31, 5201. *

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	ammonium sulfate	34-40 (%sat)
2	1	drop		0.1 (M)
3	1	drop	complex	10 (mg/ml)