4XKZ

Crystal structure of the C-terminal anticodon loop binding domain of a valyl-tRNA synthetase from Pseudomonas aeruginosa

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	2014-12-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 4 21 2
Unit cell lengths	103.360, 103.360, 79.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.1576
Rwork	0.156
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.775
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.063	0.028	0.469
Rmeas	0.068	0.030	0.503
Total number of observations	236363
Number of reflections	31655	397	2309
<I/σ(I)>	20.8	50.91	3.75
Completeness [%]	99.3	90.4	100
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	PsaeA.18849.a.B4.PW37589 at 18 mg/mL against Morpheus screen condition B6 10% PEG 8000, 20% ethylene glycol, 0.1 M MOPS-HEPES, pH7.5, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, crystal tracking ID 259627b6, unique puck ID oaf3-9