9KJH

The mTREX1-NSC 37203 complex structure by soaking in Soaking Condition 1 (NSC 37203 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	CCD
Collection date	2020-08-03
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	75.599, 83.586, 88.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.228 - 1.800
R-factor	0.1667
Rwork	0.165
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.774
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	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.093	0.067	0.437
Rmeas		0.072	0.474
Rpim		0.027	0.180
Number of reflections	52801	5552	5205
<I/σ(I)>	8.6
Completeness [%]	100.0	99.7	100
Redundancy	7.5	7.4	6.9
CC(1/2)		0.996	0.899

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