7ZPY

Influenza polymerase A C-terminal domain of PA subunit with optimized small peptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	38.850, 122.210, 123.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.040 - 1.900
R-factor	0.1962
Rwork	0.196
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6syi
RMSD bond length	0.006
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.040	39.040	1.820
High resolution limit [Å]	1.720	5.130	1.720
Rmerge	0.094	0.038	2.532
Rmeas	0.102	0.041	2.734
Total number of observations	820273
Number of reflections	46317	4561	19544
<I/σ(I)>	9.8	38.96	0.54
Completeness [%]	99.5	99.8	100
Redundancy	6.815	6.626	7.06
CC(1/2)	0.999	0.999	0.281

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.1 M MOPS/HEPES; 15% PEG 3350