9DN8

RamR variant S2.3 complexed with 1S-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	P 41 21 2
Unit cell lengths	64.460, 64.460, 100.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.580 - 2.120
R-factor	0.2021
Rwork	0.198
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.470
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc3_3805)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.150	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.137	1.496
Rmeas	0.143	1.555
Rpim	0.038	0.418
Total number of observations	173658	12173
Number of reflections	12617	902
<I/σ(I)>	14.4	1.9
Completeness [%]	100.0
Redundancy	13.8	13.5
CC(1/2)	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M NaCl, 0.2M Ammounium Sulfate, 0.1M MES pH 6.5, 20% PEG 3350