9DFI

Crystal structure of PrnB in complex with Tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97648
Spacegroup name	C 1 2 1
Unit cell lengths	141.125, 122.533, 66.809
Unit cell angles	90.00, 94.68, 90.00

Refinement procedure

Resolution	46.500 - 2.020
R-factor	0.2195
Rwork	0.218
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.948
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.020	5.510	2.030
Rmerge	0.150	0.065	0.907
Rmeas	0.163	0.070	0.998
Rpim	0.062	0.026	0.406
Number of reflections	71670	3688	3114
<I/σ(I)>	4.1
Completeness [%]	98.0	98.7	86.5
Redundancy	6.7	6.9	5.6
CC(1/2)	0.993	0.998	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	0.1 M Bis-Tris (pH 5.5) and 3.0 M sodium chloride