9KJF

The apo-mTREX1 crystal structure for soaking experiments (Soaking Condition 3)

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	2024-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	75.425, 83.450, 87.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.170 - 1.600
R-factor	0.1547
Rwork	0.153
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.157
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	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.036	0.029	0.165
Rmeas	0.039	0.032	0.178
Rpim	0.015	0.012	0.067
Total number of observations	486417
Number of reflections	73496	7677	7234
<I/σ(I)>	22.1
Completeness [%]	99.4	98.8	99
Redundancy	6.6	6.3	6.9
CC(1/2)	0.998	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.085M HEPES sodium pH 7.5, 1.7% v/v Polyethylene glycol 400, 1.7M Ammonium sulfate, 15% v/v Glycerol