7YLE

RnDmpX in complex with DMSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.989
Spacegroup name	P 41
Unit cell lengths	74.332, 74.332, 87.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.088 - 2.052
R-factor	0.1883
Rwork	0.186
R-free	0.22220
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.054
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.070	0.034	0.514
Total number of observations	222723
Number of reflections	29829	3033	2974
<I/σ(I)>	10.9
Completeness [%]	100.0	99.7	100
Redundancy	7.5	7.6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2M magnesium chloride, 0.1M Bis-Tris (pH 5.5), 25% (wt/vol) polyethylene glycol 3350