9WXS

Silver-bound E.coli Malate dehydrogenase (C251S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	51.560, 156.280, 77.390
Unit cell angles	90.00, 109.20, 90.00

Refinement procedure

Resolution	36.543 - 1.560
R-factor	0.2675
Rwork	0.266
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kka
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549:000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.543	36.540	1.600
High resolution limit [Å]	1.560	6.980	1.560
Rmerge	0.219	0.087	1.164
Rmeas	0.243	0.096	1.264
Rpim	0.102	0.039	0.488
Total number of observations		10770	80424
Number of reflections	159361	1851	11592
<I/σ(I)>	8.5	22.9	2
Completeness [%]	97.5	98.6	96.3
Redundancy	6	5.8	6.9
CC(1/2)	0.979	0.993	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1M Tris-HCl pH 7.2, 20% PEG 3350