5DH3

Crystal structure of MST2 in complex with XMU-MP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	C 2 2 21
Unit cell lengths	89.871, 98.462, 166.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.217 - 2.468
R-factor	0.213
Rwork	0.211
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lg4
RMSD bond length	0.009
RMSD bond angle	1.044
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.061	0.452
Number of reflections	26735
<I/σ(I)>	13
Completeness [%]	99.8	98.7
Redundancy	6.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris pH 6.5, 28% PEG3350, 0.2M (NH4)2SO4