9GTV

Crystal structure of RamR with Tyr59 replaced with para-boronophenylalanine (boronate form)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.965460
Spacegroup name	P 1 21 1
Unit cell lengths	78.872, 51.880, 118.319
Unit cell angles	90.00, 96.49, 90.00

Refinement procedure

Resolution	78.000 - 2.780
R-factor	0.2129
Rwork	0.210
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.215
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.000	2.930
High resolution limit [Å]	2.780	2.780
Rmerge	0.075	0.457
Rmeas	0.091	0.610
Rpim	0.051	0.399
Total number of observations		4250
Number of reflections	22672	2241
<I/σ(I)>	8.5	1.3
Completeness [%]	93.4
Redundancy	2.9	1.9
CC(1/2)	0.996	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Protein solution: 13 mg/ml in 20 mM Hepes, pH 8, 500 mM NaCl. Reservoir solution: 0.1 M Tris, pH 8.5, 20% ethanol. Drops of 200 nL were prepared by mixing protein solution and reservoir solution (1:1)