7E3R

Crystal structure of TrmL from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97957
Spacegroup name	P 41 21 2
Unit cell lengths	52.290, 52.290, 119.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 1.790
R-factor	0.2023
Rwork	0.200
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kdz
RMSD bond length	0.009
RMSD bond angle	1.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.080	0.040	0.833
Rmeas	0.084	0.042	0.875
Rpim	0.025	0.012	0.258
Total number of observations	174716
Number of reflections	16324	950	749
<I/σ(I)>	7
Completeness [%]	99.4	99.6	93.3
Redundancy	10.7	11.9	7.5
CC(1/2)		0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	1M Tris-hydrochloride pH 8.5, 8% w/v PEG 8000