6A8G

The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	114.010, 114.010, 103.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.389 - 2.530
R-factor	0.1934
Rwork	0.191
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dva
Data reduction software	HKL-2000
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.390	71.420	2.570
High resolution limit [Å]	2.530	6.870	2.530
Rmeas	0.117	0.036	1.575
Rpim	0.037	0.012	0.488
Total number of observations	262704	12663	13180
Number of reflections	26295	1431	1275
<I/σ(I)>	16	47	1.7
Completeness [%]	100.0	100	99.9
Redundancy	10	8.8	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298.15	80 mM Tris-HCl pH 8.5, 1.6 M NaH2PO4 and 20% Glycerol