7LM4

The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.216, 89.216, 131.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 2.350
R-factor	0.2091
Rwork	0.207
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.570	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.059	0.949
Rmeas	0.070	1.134
Rpim	0.028	0.442
Number of reflections	11436	1101
<I/σ(I)>	19	1.9
Completeness [%]	100.0	100
Redundancy	10	6.5
CC(1/2)	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15