6S30

Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979299
Spacegroup name	P 43 21 2
Unit cell lengths	83.342, 83.342, 229.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.280 - 2.410
R-factor	0.204
Rwork	0.202
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h9x
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.360	78.360	2.350
High resolution limit [Å]	2.230	7.050	2.230
Rmerge	0.124	0.054	2.718
Rmeas	0.130	0.057	2.829
Rpim	0.036	0.016	0.781
Total number of observations	525662	16908	75860
Number of reflections	40604	1491	5839
<I/σ(I)>	10	28.7	1
Completeness [%]	100.0	99.9	100
Redundancy	12.9	11.3	13
CC(1/2)	0.999	0.998	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Protein at 10 mg/mL in 10 mM Tris pH 7, 100 mM NaCl, 5 mM DTT was mixed with an equal volume of 7.5% w/v PEG 8000, 50 mM CaCl2, 20% v/v Ethylene glycol, 100 mM Morpheus buffer system 1 (MES/Imidazole) pH 6.5.