7DRN

Structure of ATP-grasp ligase PsnB complexed with precursor peptide PsnA2 and AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	92.294, 92.647, 99.571
Unit cell angles	90.00, 100.90, 90.00

Refinement procedure

Resolution	32.950 - 3.560
R-factor	0.2239
Rwork	0.224
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ig9
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.630
High resolution limit [Å]	3.560	9.670	3.570
Rmerge	0.183	0.066	0.554
Rmeas	0.197	0.072	0.595
Rpim	0.072	0.028	0.216
Number of reflections	19860	1034	944
<I/σ(I)>	5.7
Completeness [%]	99.9	98.2	100
Redundancy	7.4	6.6	7.5
CC(1/2)		0.982	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	Sodium acetate, PEG3350