6AB8

Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with ZLys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	102.134, 43.893, 62.070
Unit cell angles	90.00, 98.83, 90.00

Refinement procedure

Resolution	42.283 - 1.753
R-factor	0.1752
Rwork	0.172
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zim
RMSD bond length	0.011
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.750	1.750
Rmeas	0.089
Rpim	0.046	0.352
Number of reflections	27397	1346
<I/σ(I)>	19.1
Completeness [%]	99.6
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	281	Tris-HCl (pH 8.5), PEG 200, KCl, MgCl2, sodium citrate