7EFT

Crystal structure of cell shape-determining protein MreC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	133.291, 47.583, 77.332
Unit cell angles	90.00, 99.18, 90.00

Refinement procedure

Resolution	29.851 - 2.100
R-factor	0.19
Rwork	0.186
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j5u
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.140
High resolution limit [Å]	2.100	5.690	2.100
Rmerge	0.104	0.042	0.474
Rmeas	0.127	0.050	0.591
Rpim	0.071	0.028	0.347
Total number of observations	83716
Number of reflections	27893	1478	1309
<I/σ(I)>	3.2
Completeness [%]	98.9	99.4	94
Redundancy	3	3.1	2.6
CC(1/2)		0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	9.9% Isopropanol, 9.9% (v/v) PEG3350, 0.1M Tris-HCl pH 8.5