5WUL

Serratia marcescens short-chain dehydrogenase/reductase F98A/F202L

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	150
Detector technology	CCD
Collection date	2016-03-13
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 41 21 2
格子定数 [Å]	83.799, 83.799, 114.253
格子定数 [度]	90.00, 90.00, 90.00

精密化法

分解能	67.580 - 1.870
R因子	0.14918
Rwork	0.147
R-free	0.19261
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zgw
結合長の平均二乗偏差(RMSD) [Å]	0.022
結合角の平均二乗偏差(RMSD) [度]	2.029
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0135)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	67.580	1.940
分解能 [Å] (高)	1.870	1.870
Rmerge_l_obs	0.051
Rpim	0.014
独立反射数	34418
<I/σ(I)>	44.7
完全性 [%]	99.5
冗長性	13.7
CC(1/2)	0.991

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	EVAPORATION	7	298	50mM HEPES buffer (pH 7.0), 40% (v/v) tacsimate (pH 7.0), 2mM spermine, 2mM hexamine cobalt (III) chloride