7CGC

Silver-bound E. coli Malate dehydrogenase (C113 and C251)

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	2017-12-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	58.222, 125.129, 85.195
Unit cell angles	90.00, 107.10, 90.00

Refinement procedure

Resolution	40.714 - 2.548
R-factor	0.245
Rwork	0.243
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z3w
RMSD bond length	0.003
RMSD bond angle	0.497
Data reduction software	xia2 (0.3.7)
Data scaling software	Aimless (0.6)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.430	81.430	2.610
High resolution limit [Å]	2.548	11.400	2.550
Rmerge	0.193	0.096	0.519
Rmeas	0.214	0.106	0.573
Rpim	0.091	0.043	0.240
Number of reflections	37363	447	2774
<I/σ(I)>	11.9
Completeness [%]	98.0	99.2	99.5
Redundancy	5.9	5.5	6.3
CC(1/2)	0.970	0.985	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	Tris-HNO3 0.1M pH 7.2, PEG3000 30%