6MFQ

Crystal structure of a PMS2 variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	74.989, 74.962, 134.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.459 - 2.600
R-factor	0.2314
Rwork	0.221
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h7s
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	SAINT (V8.37A)
Data scaling software	SADABS
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.460	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.182	1.567
Rmeas	0.189	1.620
Rpim	0.049	0.416
Number of reflections	23960	2361
<I/σ(I)>	12.8	1.6
Completeness [%]	100.0	100
Redundancy	14.8	15.1
CC(1/2)	0.998	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289.15	Crystals were obtained in conditions containing 4% tacsimate pH 5 (v/v) and 25% PEG 3350 (w/v). The concentrated PMS2 G207E protein (7 mg/mL) was combined with 0.1ul of an additive (0.1 M calcium chloride dehydrate) prior to the addition of crystallization reagent in a 1:1 ratio.