9KJG

The mTREX1-NSC 37203 complex structure by co-crystallization (NSC 37203 Complex 1)

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	75.488, 83.765, 88.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.730 - 1.910
R-factor	0.1714
Rwork	0.169
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.937
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.069	0.049	0.465
Rmeas		0.051	0.499
Rpim		0.016	0.176
Number of reflections	44269	4685	4333
<I/σ(I)>	8.6
Completeness [%]	99.9	99.8	99.9
Redundancy	8.5	9	7.2
CC(1/2)		0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3M Lithium sulfate, 0.1M Sodium HEPES, pH7.5