3BL5

Crystal structure of QueC from Bacillus subtilis: an enzyme involved in preQ1 biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	172.057, 75.542, 131.023
Unit cell angles	90.00, 94.73, 90.00

Refinement procedure

Resolution	50.000 - 2.950
R-factor	0.249
Rwork	0.222
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.950
Rmerge	0.060
Number of reflections	35642
<I/σ(I)>	12.3
Completeness [%]	99.6
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	25% PEG 6000, 100 mM NaCl, 100 mM MES, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K