9IIJ

Engineered LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenyl-cysteine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-12
Detector	Bruker PHOTON II
Wavelength(s)	1.54178
Spacegroup name	P 32 1 2
Unit cell lengths	70.620, 70.620, 61.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.340 - 2.700
R-factor	0.2439
Rwork	0.242
R-free	0.28605
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.937
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.340	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.099	1.094
Rpim	0.035	0.411
Number of reflections	4944	663
<I/σ(I)>	17.7
Completeness [%]	100.0	100
Redundancy	8.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	PEGRX2 containing 1.8M Ammonium sulfate, 0.1M Bis-Tris, pH 6.5 and 2% (v/v) PEG 550