8VNU

Homing endonuclease H98A I-PpoI-DNA complex at pH6.0 (K+ MES) with 70 mM Tl+ for 1800s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9765
Spacegroup name	P 31 2 1
Unit cell lengths	113.574, 113.574, 87.695
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 2.200
R-factor	0.1851
Rwork	0.183
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.670	47.670	2.330
High resolution limit [Å]	2.200	6.540	2.200
Rmerge	0.118	0.059	0.833
Rmeas	0.131	0.066	0.929
Number of reflections	64279	2432	10294
<I/σ(I)>	9.07
Completeness [%]	99.8
Redundancy	9.9
CC(1/2)	0.996	0.995	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.2 M Sodium Malonate, PEG 3350, 0.1 M MES