5TEV

Crystal structure of a tryptophanyl-tRNA synthetase from Neisseria gonorrhoeae, apo

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	2016-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	59.940, 59.940, 355.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.828 - 2.250
R-factor	0.1784
Rwork	0.175
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tzl
RMSD bond length	0.007
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((DEV_2499: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.085	0.037	0.557
Number of reflections	36620
<I/σ(I)>	15.42	30.6	3.49
Completeness [%]	99.7	94.9	99.9
Redundancy	6.7
CC(1/2)	0.998	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	NegoA.00743.a.B1.PS37949 at 19.2 mg/mL against Morpheus screen condition G9 10% PEG 20,000, 20% PEG 550 MME, 0.02 M carboxylates, 0.1 M bicine/trizma pH 8.5