7LFQ

Pyrococcus RNA ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	151.379, 151.379, 82.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.870 - 2.700
R-factor	0.1931
Rwork	0.191
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dwr
RMSD bond length	0.011
RMSD bond angle	1.351
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.084	0.024	1.311
Rmeas	0.088	0.025	1.375
Rpim	0.026	0.008	0.411
Total number of observations	293064
Number of reflections	26802	1502	1311
<I/σ(I)>	8.2
Completeness [%]	100.0	100	100
Redundancy	10.9	10.8	11.1
CC(1/2)		1.000	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Morpheus G6