6NQI

Prp8 RH domain from C. merolae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-14
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	56.516, 67.508, 58.859
Unit cell angles	90.00, 101.64, 90.00

Refinement procedure

Resolution	36.425 - 2.750
R-factor	0.2143
Rwork	0.212
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jk7
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.570
High resolution limit [Å]	2.500	5.880	2.500
Rmerge	0.101	0.042
Rmeas	0.109	0.046
Rpim	0.044	0.018	0.497
Total number of observations	97205
Number of reflections	15227	1209	1116
<I/σ(I)>	9.7
Completeness [%]	99.6	99.3	95.6
Redundancy	6.4	6.4	5.7
CC(1/2)		0.999	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris, pH 8.5, 100-150 mM magnesium chloride, 10-12% PEG8000