7F6P

Crystal structure of metal-citrate-binding mutant (D28A) 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	2019-12-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.310, 146.260, 79.090
Unit cell angles	90.00, 99.89, 90.00

Refinement procedure

Resolution	73.240 - 2.150
R-factor	0.1757
Rwork	0.174
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.013
RMSD bond angle	1.708
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]	73.240	73.130	2.210
High resolution limit [Å]	2.150	9.120	2.150
Rmerge	0.091	0.031	0.596
Rmeas	0.100	0.034	0.656
Rpim	0.041	0.014	0.271
Total number of observations		4179	21756
Number of reflections	52451	741	4081
<I/σ(I)>	12.7	29.6	3.1
Completeness [%]	95.5	99.6	91.4
Redundancy	5.5	5.6	5.3
CC(1/2)	0.997	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M ammonium phosphate dibasic, 20% PEG 3350