7X4T

LpCdnE UMPNPP Mg complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	157.495, 72.910, 66.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 2.200
R-factor	0.1609
Rwork	0.159
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x4f
RMSD bond length	0.004
RMSD bond angle	0.696
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.055	0.213
Rpim	0.023	0.093
Number of reflections	40378	3848
<I/σ(I)>	29.3	8.9
Completeness [%]	98.9	99.2
Redundancy	6.1
CC(1/2)		0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	UMPNPP, MgCl2, Li2SO4, Tris, PEG 3350