7VR6

Crystal structure of MlaC from Escherichia coli in quasi-open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-03-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	114.940, 114.940, 46.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.470 - 2.500
R-factor	0.1714
Rwork	0.169
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uwa
RMSD bond length	0.014
RMSD bond angle	1.984
Data reduction software	MOSFLM (7.3.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.470	57.470	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.095	0.028	0.411
Rmeas	0.108	0.032	0.468
Rpim	0.050	0.015	0.221
Total number of observations	35454	738	3998
Number of reflections	7857	164	898
<I/σ(I)>	13.5	36	3.8
Completeness [%]	100.0	99	100
Redundancy	4.5	4.5	4.5
CC(1/2)	0.996	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.7 M sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 7.0