8IFJ

Crystal structure of pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	98.510, 102.680, 349.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.867 - 2.780
R-factor	0.234
Rwork	0.233
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.867	49.867	2.850
High resolution limit [Å]	2.780	12.430	2.780
Rmerge	0.145	0.052	1.866
Rmeas	0.159	0.056	2.042
Total number of observations	1031551
Number of reflections	172270	1900	12757
<I/σ(I)>	9.77	32.57	1.01
Completeness [%]	99.9	98.2	99.9
Redundancy	5.988	6.569	6.066
CC(1/2)	0.998	0.998	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	293	HEPES, PEG 3350, KCl