9KJO

The mTREX1-NSC 37215 complex structure by soaking in Soaking Condition 2 (NSC 37215-1 complex 2)

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	75.423, 83.688, 88.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 2.000
R-factor	0.1642
Rwork	0.161
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.627
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	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.071	0.038	0.439
Rmeas	0.077	0.041	0.472
Rpim	0.029	0.016	0.171
Total number of observations	270173
Number of reflections	38466	2089	1917
<I/σ(I)>	9
Completeness [%]	99.9	99.5	99.9
Redundancy	7	6.9	7.4
CC(1/2)	0.995	0.999	0.921

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