7QRY

Crystal structure of B30.2 PRYSPRY domain of MID1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	38.863, 51.763, 80.380
Unit cell angles	103.76, 92.64, 94.33

Refinement procedure

Resolution	47.710 - 2.070
R-factor	0.2291
Rwork	0.227
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jbm
RMSD bond length	0.010
RMSD bond angle	1.293
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.710	47.710	2.140
High resolution limit [Å]	2.070	8.020	2.070
Rmerge	0.114	0.092	0.472
Rmeas	0.146	0.103	0.625
Rpim	0.070	0.047	0.303
Number of reflections	35045	628	3431
<I/σ(I)>	5.5		2
Completeness [%]	95.0	98.7	94.6
Redundancy	4	4.3	4
CC(1/2)	0.990	0.980	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.25	293.15	1.1M sodium citrate, 0.1M HEPES 7.25