7CGD

Silver-bound E.coli malate dehydrogenase

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	2017-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	57.641, 124.681, 85.148
Unit cell angles	90.00, 106.99, 90.00

Refinement procedure

Resolution	68.178 - 2.060
R-factor	0.2145
Rwork	0.213
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ib6
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS (2017-11)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.430	2.120
High resolution limit [Å]	2.060	2.060
Rmerge	0.113	0.104
Rmeas	0.123	0.905
Rpim	0.049	0.379
Number of reflections	72364	2142
<I/σ(I)>	14.3
Completeness [%]	85.9	91.6
Redundancy	6.3	5
CC(1/2)	0.996	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Tris-HCl 0.1M pH 8.5, MgCl2 0.1M, PEG3350 22%