7F6E

Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form I)

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	2017-10-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.270, 144.250, 79.150
Unit cell angles	90.00, 100.16, 90.00

Refinement procedure

Resolution	52.980 - 1.770
R-factor	0.1385
Rwork	0.137
R-free	0.17150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c9h
RMSD bond length	0.014
RMSD bond angle	1.811
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]	52.980	52.930	1.800
High resolution limit [Å]	1.770	9.710	1.770
Rmerge	0.065	0.029	0.411
Rmeas	0.072	0.032	0.458
Rpim	0.030	0.013	0.198
Total number of observations		3321	21491
Number of reflections	92348	613	4278
<I/σ(I)>	15.2	36.4	3.3
Completeness [%]	95.8	99.6	88.9
Redundancy	5.3	5.4	5
CC(1/2)	0.999	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	293	0.1 M sodium citrate tribasic dihydrate pH 5.5, 16% PEG 8000