7DRM

Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP

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	92.432, 91.294, 100.308
Unit cell angles	90.00, 101.16, 90.00

Refinement procedure

Resolution	32.830 - 3.280
R-factor	0.251
Rwork	0.251
R-free	0.25910
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]	32.830	32.830	3.360
High resolution limit [Å]	3.280	8.940	3.280
Rmerge	0.139	0.063	0.656
Rmeas	0.150	0.069	0.704
Rpim	0.055	0.026	0.256
Number of reflections	25135	1303	1270
<I/σ(I)>	10.1
Completeness [%]	99.9	98.3	100
Redundancy	7.4	6.7	7.5
CC(1/2)		0.995	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	Sodium acetate, PEG3350