9H7S

MITF in complex with 1-(3-chlorophenyl)-6-((1-hydroxycyclohexyl)ethynyl)-1H-indole-2-carboxylic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000290
Spacegroup name	P 41 21 2
Unit cell lengths	90.156, 90.156, 82.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.520 - 1.990
R-factor	0.2027
Rwork	0.201
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.929
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.520	2.020
High resolution limit [Å]	1.986	1.986
Rpim	0.013	0.352
Number of reflections	22926	1190
<I/σ(I)>	27.9	2.2
Completeness [%]	94.9
Redundancy	19.6
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.2 M ammonium sulfate, 5 % (v/v) PEG 400, 0.1 M MES pH 6.5