7LUY

Crystal Structure of guanylate kinase from Bartonella henselae str. Houston-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 1 21 1
Unit cell lengths	85.820, 101.910, 86.660
Unit cell angles	90.00, 115.98, 90.00

Refinement procedure

Resolution	45.710 - 2.300
R-factor	0.2002
Rwork	0.198
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f3t in two domains as per Morda
RMSD bond length	0.006
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.063	0.015	0.622
Rmeas	0.071	0.017	0.701
Number of reflections	59593	692	4389
<I/σ(I)>	19.22	67.66	2.59
Completeness [%]	99.7	97.7	99.8
Redundancy	4.574	4.223	4.616
CC(1/2)	0.999	1.000	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	RigakuReagents JCSG+ screen, condition H9: 200mM lithium sulfate, 100mM BisTris pH 5.5, 25% (w/V) PEG 3350: BaheA.00713.a.A1.PS00367 at 20mg/ml: tray 205529 H9: cryoprotectant: 25% ethylene glycol: puck: ekw2-5