6RN5

PptA from Streptomyces chartreusis

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.905002
Spacegroup name	C 2 2 21
格子定数 [Å]	49.303, 132.233, 116.398
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	46.196 - 2.037
R因子	0.193
Rwork	0.191
R-free	0.23700
Structure solution method	SAD
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]	1.532
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218 2018/15/02)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	46.196	2.160
分解能 [Å] (高)	2.037	2.037
Rmerge_l_obs	0.106	0.916
Rmeas	0.111	0.971
独立反射数	24547	3733
<I/σ(I)>	19.2	2.26
完全性 [%]	98.9	94.5
冗長性	12.3	8.9
CC(1/2)	0.999	0.711

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	100 mM MES/HCl pH 6.5, 1.6 M MgSO4