9EBY

Crystal structure of RufO in complex with MRYLH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-06
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	55.163, 79.300, 88.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.280 - 2.030
R-factor	0.208
Rwork	0.203
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.049
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.171	0.110	0.738
Rmeas	0.190	0.120	0.840
Rpim	0.080	0.047	0.391
Total number of observations	124813
Number of reflections	24219	1432	1076
<I/σ(I)>	6.2
Completeness [%]	93.4	99.7	84.1
Redundancy	5.2	6.2	4.1
CC(1/2)	0.981	0.988	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	18% PEG 3350, 0.2 M sodium tartrate dibasic dihydrate