4YCO

E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-02
Detector	PSI PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	100.585, 176.895, 238.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 2.100
R-factor	0.1927
Rwork	0.192
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bfa 3l0u
RMSD bond length	0.008
RMSD bond angle	1.263
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.250	49.250	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.061	0.020	0.999
Rpim	0.033	0.011	0.522
Total number of observations	556847	3596	28446
Number of reflections	123558
<I/σ(I)>	15.7	59.8	1.7
Completeness [%]	99.9	98.2	100
Redundancy	4.5	4.3	4.7
CC(1/2)	0.999	0.999	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	11% w/v PEG 6K, 100 mM HEPES, 200 mM MgCl2, 10 mM MnCl2,