9DNK

RamR variant R2.1 complexed with 1R-1-phenyl-1,2,3,4-tetrahydroisoquinoline

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	58.690, 93.394, 44.610
Unit cell angles	90.00, 93.76, 90.00

Refinement procedure

Resolution	49.620 - 2.500
R-factor	0.2289
Rwork	0.227
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.079
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc3_3805)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.096	1.010
Number of reflections	8122	390
<I/σ(I)>	12.3
Completeness [%]	97.6
Redundancy	2.8
CC(1/2)	0.990	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M NaCl, 0.2M Ammonium Sulfate, 0.1M MES pH 6.5, 25% PEG 3350