9D4S

Structure of G2L4 RT in complex with 15 nucleotide snapback substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	65.398, 99.190, 157.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.300 - 2.770
R-factor	0.2384
Rwork	0.235
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.502
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.820
High resolution limit [Å]	2.770	7.510	2.770
Rmerge	0.140	0.052	0.836
Rmeas	0.150	0.057	0.904
Rpim	0.055	0.021	0.339
Total number of observations	192211
Number of reflections	26710	1466	1319
<I/σ(I)>	3.6
Completeness [%]	99.4	98.7	99.3
Redundancy	7.2	6.6	6.8
CC(1/2)	0.991	0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295.15	0.1M Bis-Tris, 25% PEG3350, 0.2M magnesium chloride hexahydrate