9KJI

The mTREX1-NSC 37203 complex structure by co-crystallization (NSC 37203 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	CCD
Collection date	2020-12-23
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	75.553, 83.239, 87.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.060 - 1.700
R-factor	0.1676
Rwork	0.166
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((1.19.2_4158: ???))

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	0.058	0.036	0.486
Rmeas		0.039	0.519
Rpim		0.013	0.179
Number of reflections	61622	6458	6087
<I/σ(I)>	10.7
Completeness [%]	99.9	99.6	100
Redundancy	8.8	8.9	7.9
CC(1/2)		0.999	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5M Ammonium sulfate, 0.1M Magnesium chloride hexahydrate, 0.1M Tris, pH8.5