9KJP

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

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	CCD
Collection date	2020-12-23
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	74.897, 83.279, 87.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.020 - 1.900
R-factor	0.1841
Rwork	0.182
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.026
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.062	0.045	0.499
Rmeas		0.047	0.535
Rpim		0.016	0.189
Number of reflections	43909	4577	4330
<I/σ(I)>	8.7
Completeness [%]	99.0	97.5	99.2
Redundancy	8.9	8.8	7.7
CC(1/2)		0.998	0.909

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