9DNH

RamR variant D2.3 complexed with 1-phenyl-dihydroisoquinoline

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 65 2 2
Unit cell lengths	57.107, 57.107, 449.903
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.460 - 2.370
R-factor	0.2728
Rwork	0.267
R-free	0.32610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc3_3805)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	449.900	2.410
High resolution limit [Å]	2.370	2.370
Rmerge	0.336	3.174
Rmeas	0.345	3.253
Rpim	0.077	0.705
Total number of observations	384934	18877
Number of reflections	19261	899
<I/σ(I)>	7.8	0.9
Completeness [%]	100.0
Redundancy	20	21
CC(1/2)	0.976	0.424

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