4L82

Structure of a putative oxidoreductase from Rickettsia felis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	52.580, 79.730, 155.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.000
R-factor	0.184
Rwork	0.182
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rz1
RMSD bond length	0.011
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.941		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.095	0.030	0.513
Number of reflections	44103	530	3182
<I/σ(I)>	15.07	44.61	3.77
Completeness [%]	98.0	87.7	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	17 mg/mL RifeA.00250.a, 0.2 M potassium thiocyanate, 20% PEG3350, cryoprotectant: 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K