9KJM

The mTREX1-NSC 37204 complex structure by soaking in Soaking Condition 1 (NSC 37204 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	2024-07-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	75.752, 83.015, 88.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.660 - 1.700
R-factor	0.159
Rwork	0.157
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.187
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	0.065	0.046	0.424
Rmeas	0.072	0.051	0.460
Rpim	0.030	0.022	0.175
Total number of observations	387571
Number of reflections	61686	6463	6088
<I/σ(I)>	13.3
Completeness [%]	99.8	99.4	100
Redundancy	6.3	5.4	6.8
CC(1/2)	0.993	0.997	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Sodium cacodylate trihydrate pH 6.5, 1.4M Sodium acetate trihydrate