9KJQ

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

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	CCD
Collection date	2021-03-18
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	75.486, 83.452, 87.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 1.800
R-factor	0.1656
Rwork	0.164
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.866
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	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.089	0.058	0.494
Rmeas		0.061	0.531
Rpim		0.020	0.193
Number of reflections	52517	5535	5169
<I/σ(I)>	8.1
Completeness [%]	100.0	99.8	100
Redundancy	8.8	9	7.3
CC(1/2)		0.998	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.075M TRIS hydrochloride pH 8.5, 1.5M Ammonium sulfate, 25% v/v Glycerol