6Z90

Crystal structure of MINDY1 mutant-P138A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 41 2 2
Unit cell lengths	98.649, 98.649, 166.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 3.590
R-factor	0.2139
Rwork	0.212
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jkn
RMSD bond length	0.006
RMSD bond angle	1.670
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.280	3.930
High resolution limit [Å]	3.590	3.590
Rmerge	0.094	1.037
Rmeas	0.100	1.101
Rpim	0.034	0.368
Total number of observations	86341
Number of reflections	10152	2353
<I/σ(I)>	12.5
Completeness [%]	99.9	99.9
Redundancy	8.5	8.8
CC(1/2)	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.7 M sodium citrate tribasic dihydrate, 0.1 M BIS-TRIS propane pH 7.0