8HL8

Crystal structrue of MtdL R257K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	98.605, 162.405, 116.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 2.500
R-factor	0.2583
Rwork	0.257
R-free	0.29560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xpt
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.840	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.186	1.303
Rmeas	0.200	1.403
Rpim	0.074	0.515
Total number of observations	230290	26291
Number of reflections	32478	3592
<I/σ(I)>	7.8	1.6
Completeness [%]	99.6
Redundancy	7.1	7.3
CC(1/2)	0.997	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1 M tri-sodium citrate pH 5.6, 10% (w/v) PEG 4000, 10% (w/v) isopropanol