7F6O

Crystal structure of metal-citrate-binding mutant (S26A) protein (MctA) of ABC transporter endogenously bound to Mn2+-citrate complex

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	2019-08-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.730, 100.130, 143.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.280 - 2.500
R-factor	0.1975
Rwork	0.194
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.012
RMSD bond angle	1.782
Data reduction software	MOSFLM (7.3.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (3.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.650	71.650	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.230	0.135	0.564
Rmeas	0.248	0.147	0.610
Rpim	0.092	0.057	0.227
Total number of observations	168215	3873	17862
Number of reflections	23063	574	2526
<I/σ(I)>	6.4	9.4	3
Completeness [%]	99.9	99.6	99.7
Redundancy	7.3	6.7	7.1
CC(1/2)	0.971	0.980	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium fluoride, 20% PEG 3350