6X94

An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	C 2 2 21
格子定数 [Å]	72.782, 159.415, 84.004
格子定数 [度]	90.00, 90.00, 90.00

精密化法

分解能	29.220 - 1.450
R因子	0.1454
Rwork	0.144
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dq3
結合長の平均二乗偏差(RMSD) [Å]	0.015
結合角の平均二乗偏差(RMSD) [度]	1.937
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	79.707	29.204	1.530
分解能 [Å] (高)	1.450	4.590	1.450
Rmerge_l_obs	0.060	0.025	1.154
Rmeas	0.063	0.026	1.217
Rpim	0.020	0.008	0.383
独立反射数	86540	2917	12551
<I/σ(I)>	18.1	24.3	0.7
完全性 [%]	99.9	99.5	100
冗長性	9.9	9.2	10
CC(1/2)	1.000		0.725

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7	295	18% PEG3350, 200 mM thiocyanate