7B35

MST3 in complex with compound MRIA13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	55.875, 93.210, 61.303
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	47.898 - 2.400
R-factor	0.20779101366
Rwork	0.205
R-free	0.26348
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zhp
RMSD bond length	0.004
RMSD bond angle	0.667
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.480
High resolution limit [Å]	2.400	2.400
Rpim	0.059	0.353
Number of reflections	24436	2563
<I/σ(I)>	9.2	2.3
Completeness [%]	99.2	99.1
Redundancy	5.6	5.4
CC(1/2)	0.995	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein solution: 10 mg/ml in buffer 25 mM HEPES pH 7.5, 200 mM NaCl, 5% glycerol, 0.5 mM TCEP. reservoir: 24% PEG 3550, 0.1M citrate pH 5.6.