9KJE

The apo-mTREX1 crystal structure for soaking experiments (Soaking Condition 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	75.362, 83.186, 88.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.630 - 1.400
R-factor	0.148
Rwork	0.146
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.150
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	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.049	0.041	0.393
Rmeas	0.051	0.043	0.436
Rpim	0.015	0.013	0.183
Total number of observations	965600
Number of reflections	110147	11438	10753
<I/σ(I)>	12.5
Completeness [%]	99.5	99	98.3
Redundancy	8.8	11	4.9
CC(1/2)	1.000	0.999	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.8M Sodium acetate trihydrate pH7.0, 0.1M BIS-TRIS propane pH7.0