6LY6

PylRS C-terminus domain mutant bound with 3-(1-Naphthyl)-L-alanine and AMPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	110
Detector technology	CCD
Collection date	2017-03-27
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 64
Unit cell lengths	105.723, 105.723, 71.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.431 - 2.500
R-factor	0.178766103593
Rwork	0.177
R-free	0.19172
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zce
RMSD bond length	0.009
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.201	2.590
High resolution limit [Å]	2.500	2.500
Rmeas	0.094	0.513
Rpim	0.029	0.171
Number of reflections	15881	1581
<I/σ(I)>	38.1	3.4
Completeness [%]	99.0
Redundancy	10.6	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM HEPES, 10% PEG 8000, 10% Ethylene Glycerol