9KJS

The mTREX1-NSC 37215 complex structure by co-crystallization (NSC 37215-2 Complex 3)

This is a non-PDB format compatible entry.

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	PIXEL
Collection date	2023-03-03
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	75.795, 83.913, 88.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.670 - 1.700
R-factor	0.171
Rwork	0.169
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.204
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	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.052	0.034	0.493
Rmeas	0.055	0.037	0.522
Rpim	0.019	0.013	0.171
Total number of observations	527219
Number of reflections	62095	6620	6222
<I/σ(I)>	12.1
Completeness [%]	98.2	99.7	100
Redundancy	8.5	8.4	9
CC(1/2)	0.995	0.999	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	35% v/v Tacsimate TM pH 7.0