4WC0

tRNA-processing enzyme with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-02-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	57.710, 109.060, 85.090
Unit cell angles	90.00, 109.84, 90.00

Refinement procedure

Resolution	19.818 - 3.100
R-factor	0.2154
Rwork	0.213
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wby
RMSD bond length	0.002
RMSD bond angle	0.649
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.180
High resolution limit [Å]	3.100	13.840	3.100
Rmerge	0.109	0.017	1.501
Rmeas	0.124	0.020	1.721
Total number of observations	76936
Number of reflections	18119	201	1309
<I/σ(I)>	14.32	64.76	1.26
Completeness [%]	99.4	91.8	96.1
Redundancy	4.2		4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEGMME550, sodium chloride, Tris-Cl