6MTK

Crystal structure of Tryptophanyl-tRNA synthetase from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	65.070, 105.920, 94.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.095 - 2.000
R-factor	0.204
Rwork	0.200
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3TZL as per MoRDa
RMSD bond length	0.006
RMSD bond angle	0.768
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.095	47.095	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.041	0.026	0.507
Rmeas	0.043	0.027	0.540
Number of reflections	22221	288	1643
<I/σ(I)>	33.22	86.96	4.19
Completeness [%]	99.3	99	99.9
Redundancy	12.517	11.854	8.363
CC(1/2)	0.999	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	22.6 mg/mL ElanA.00743.a.B1.PS38400 + Molecular Dimensions Morpheus screen, condition C10 (10% w/v PEG8000, 20% v/v ethylene glycol, 30 mM each NPS, 100 mM bicine/Trizma base, pH 8.5, sodium nitrate, 0.3 M disodium hydrogen phosphate, 0.3 M ammonium sulfate), cryoprotectant: direct, Tray 299155c10, puck OVZ1-7