7E3S

Crystal structure of TrmL from Shewanella oneidensis

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	C 2 2 21
Unit cell lengths	74.816, 77.988, 101.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.020 - 2.100
R-factor	0.1886
Rwork	0.186
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kdz
RMSD bond length	0.007
RMSD bond angle	1.441
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	2.140
High resolution limit [Å]	2.090	5.700	2.100
Rmerge	0.153	0.068	1.086
Rmeas	0.161	0.071	1.174
Rpim	0.048	0.020	0.427
Number of reflections	17438	971	752
<I/σ(I)>	5
Completeness [%]	98.2	99.8	85.6
Redundancy	10.7	13	6.1
CC(1/2)		0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.2M Ammonium acetate, 0.1M Sodium citrate tribasic dehydrate pH5.6, 30%w/v PEG 4000