9KJD

The apo-mTREX1 crystal structure for soaking experiments (Soaking Condition 1)

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	2021-04-08
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	75.246, 82.703, 88.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.354 - 1.700
R-factor	0.1604
Rwork	0.159
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((1.14_3260: ???))

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	0.495
Rmeas		0.048	0.527
Rpim		0.016	0.177
Number of reflections	60946	6346	6037
<I/σ(I)>	7.8
Completeness [%]	99.5	98.5	100
Redundancy	9.3	9.2	8.6
CC(1/2)		0.998	0.892

Crystallization Conditions

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