6NHI

Crystal structure of Histidine--tRNA ligase from Elizabethkingia sp. CCUG 26117

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	95.800, 68.560, 97.220
Unit cell angles	90.00, 118.66, 90.00

Refinement procedure

Resolution	47.895 - 2.100
R-factor	0.1744
Rwork	0.171
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3netA_1 4g84A_2 6b26A_1 as per Morda
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3339))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.895	47.895	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.059	0.035	0.337
Rmeas	0.070	0.041	0.438
Number of reflections	31772	375	2047
<I/σ(I)>	13.86	31	2.58
Completeness [%]	97.8	95.2	86.2
Redundancy	3.457	3.333	2.343
CC(1/2)	0.997	0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	Microlytic MCSG1 condition E12: 2400mM Sodium malonate dibasic pH 7.0: ElmeA.00686.a.B1.PW38399 at 19.3mg/ml: cryo: direct: tray 299159e12: puck dod0-8