9KJL

The mTREX1-NSC 37204 complex structure by soaking in Soaking Condition 3 (NSC 37204 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	76.060, 83.082, 87.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.250 - 1.700
R-factor	0.1518
Rwork	0.150
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.239
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	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.049	0.030	0.347
Rmeas	0.054	0.033	0.373
Rpim	0.021	0.013	0.136
Total number of observations	425048
Number of reflections	61471	6436	6074
<I/σ(I)>	12.2
Completeness [%]	99.9	99.6	100
Redundancy	6.9	6.1	7.3
CC(1/2)	1.000	0.999	0.960

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