9KJN

The mTREX1-NSC 37215 complex structure by co-crystallization (NSC 37215-1 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	PIXEL
Collection date	2023-03-03
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	75.610, 83.732, 88.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.100 - 1.700
R-factor	0.1588
Rwork	0.156
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.220
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	0.063	0.044	0.462
Rmeas	0.068	0.047	0.494
Rpim	0.025	0.018	0.173
Total number of observations	458394
Number of reflections	61326	6458	6033
<I/σ(I)>	9.4
Completeness [%]	98.8	98.9	98.1
Redundancy	7.5	7.1	7.8
CC(1/2)	0.996	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.0M Succinic acid pH 7.0, 0.1M HEPES pH 7.0, 1% w/v Polyethylene glycol monomethyl ether 2000