7E3Q

Crystal structure of SAH bound TrmL from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97942
Spacegroup name	P 43 21 2
Unit cell lengths	67.354, 67.354, 145.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.700
R-factor	0.1921
Rwork	0.189
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kdz
RMSD bond length	0.009
RMSD bond angle	1.595
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.203	0.069	0.821
Rmeas	0.220	0.075	0.885
Rpim	0.081	0.029	0.328
Total number of observations	67737
Number of reflections	9778	562	463
<I/σ(I)>	2.9
Completeness [%]	99.6	96.4	99.8
Redundancy	6.9	6	7
CC(1/2)		0.995	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris-hydrochloride pH 8.5, 0.2M Magnesium chloride hexahydrate, 30% w/v PEG 4000, 40% v/v tert-Butano