7F6K

Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate

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	2017-11-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.550, 145.110, 79.240
Unit cell angles	90.00, 100.44, 90.00

Refinement procedure

Resolution	72.660 - 2.100
R-factor	0.1715
Rwork	0.169
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.013
RMSD bond angle	1.680
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]	77.930	77.930	2.160
High resolution limit [Å]	2.100	9.150	2.100
Rmerge	0.104	0.039	0.439
Rmeas	0.122	0.046	0.522
Rpim	0.063	0.024	0.278
Total number of observations	213306	2630	15755
Number of reflections	58898	737	4570
<I/σ(I)>	9.2	22	2.8
Completeness [%]	100.0	99.9	99.7
Redundancy	3.6	3.6	3.4
CC(1/2)	0.994	0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	0.2 M ammonium sulphate, 0.1 M MES mohohydrate pH 6.5, 30% (w/v) PEG monoethyl ether 5000