4XWT

Crystal structure of RNase J complexed with UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	95
Detector technology	CCD
Collection date	2014-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.590, 87.760, 253.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.473 - 2.003
R-factor	0.2019
Rwork	0.200
R-free	0.23520
RMSD bond length	0.008
RMSD bond angle	1.121
Data reduction software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		2.060
High resolution limit [Å]	2.000	8.960	2.000
Rmerge	0.065	0.037	0.657
Rmeas	0.072	0.041	0.716
Total number of observations	588280
Number of reflections	98253	602	7177
<I/σ(I)>	16.09	31.16	3.25
Completeness [%]	97.5	46.6	98.1
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 4000, MnCl2, MES