9DN9

RamR variant S2.4 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 1
Unit cell lengths	44.170, 54.360, 91.540
Unit cell angles	75.74, 81.98, 89.93

Refinement procedure

Resolution	40.890 - 1.800
R-factor	0.236
Rwork	0.235
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.785
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]	40.890	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.650
Rmeas	0.100	0.879
Rpim	0.067	0.589
Total number of observations	141355	10624
Number of reflections	71463	5353
<I/σ(I)>	7	1.5
Completeness [%]	94.4
Redundancy	2	2
CC(1/2)	0.994	0.452

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