6MX6

The Prp8 intein of Cryptococcus neoformans

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	2016-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	63.153, 63.226, 80.204
Unit cell angles	103.32, 95.53, 117.34

Refinement procedure

Resolution	32.692 - 1.749
R-factor	0.1982
Rwork	0.197
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwy
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7.16)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.070	0.030	0.975
Rmeas	0.089	0.040	1.251
Rpim	0.055	0.025	0.775
Total number of observations	212046
Number of reflections	90650	4659	4403
<I/σ(I)>	10.6
Completeness [%]	86.3	88.6	84
Redundancy	2.3	2.2	2.3
CC(1/2)		0.997	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	28% PEG4,000, 0.1 M sodium acetate, pH 4.2, 0.2 M ammonium acetate