4J5U

X-ray crystal structure of a serine hydroxymethyltransferase with covalently bound PLP from Rickettsia rickettsii str. Sheila Smith

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	2013-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.28357
Spacegroup name	P 1 21 1
Unit cell lengths	56.270, 113.280, 65.910
Unit cell angles	90.00, 114.91, 90.00

Refinement procedure

Resolution	19.625 - 1.700
R-factor	0.1779
Rwork	0.176
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecd
RMSD bond length	0.006
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1255)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.035	0.018	0.200
Number of reflections	81184	785	5893
<I/σ(I)>	25.37	57.55	5.42
Completeness [%]	98.6	81.1	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.2 M Magnesium Chloride, 0.1 M MES:NaOH pH 6.5, 10% (w/v) PEG 4000, 22.4 mg/mL protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K