5Z3W

Malate dehydrogenase binds silver at C113

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	57.648, 124.564, 85.503
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	53.565 - 2.290
R-factor	0.1973
Rwork	0.196
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ib6
RMSD bond length	0.003
RMSD bond angle	0.576
Data reduction software	XDS (2017-11)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	124.560	124.560	2.400
High resolution limit [Å]	2.290	7.810	2.290
Rmerge	0.098	0.055	0.165
Rmeas	0.107	0.060	0.179
Rpim	0.042	0.023	0.101
Number of reflections	50974	1351	6186
<I/σ(I)>	12.6
Completeness [%]	87.4	99.2	97.6
Redundancy	6.5	6.5	5.9
CC(1/2)	0.997	0.997	0.986

Crystallization Conditions

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