5GWO

Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1
格子定数 [Å]	46.472, 79.253, 80.288
格子定数 [度]	81.63, 87.08, 73.98

精密化法

残基	37.729 - 2.816
R因子	0.1895
Rwork	0.185
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rt0
結合長の平均二乗偏差(RMSD) [Å]	0.005
結合角の平均二乗偏差(RMSD) [度]	0.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	37.729	2.917
分解能 [Å] (高)	2.816	2.816
Rmerge_l_obs	0.107
独立反射数	25506
<I/σ(I)>	13.54
完全性 [%]	97.0
冗長性	3.2
CC(1/2)	0.993

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP		295	PEG 8000, MES pH 6.0, magnesium acetate, glycerol