9KJK

The mTREX1-NSC 37204 complex structure by soaking in Soaking Condition 2 (NSC 37204 complex 1)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2024-03-20
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	75.631, 83.179, 88.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.970 - 1.900
R-factor	0.1842
Rwork	0.181
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.077	0.042	0.496
Rmeas	0.084	0.045	0.570
Rpim	0.033	0.017	0.275
Number of reflections	44166	4678	4284
<I/σ(I)>	11.7
Completeness [%]	99.2	99.3	98.1
Redundancy	5.7	7	3.8
CC(1/2)		0.999	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.8M Sodium acetate trihydrate pH7.0, 0.1M BIS-TRIS propane pH7.0