7F6Q

Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo 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	2019-08-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	72.170, 72.170, 114.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.210 - 1.630
R-factor	0.1772
Rwork	0.175
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.018
RMSD bond angle	2.218
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]	42.210	42.180	1.660
High resolution limit [Å]	1.630	8.920	1.630
Rmerge	0.055	0.017	0.231
Rmeas	0.057	0.018	0.244
Rpim	0.017	0.006	0.077
Total number of observations		2921	20414
Number of reflections	43745	318	2113
<I/σ(I)>	24.7	47.8	5.1
Completeness [%]	100.0	99.3	99.5
Redundancy	10.4	9.2	9.7
CC(1/2)	0.999	1.000	0.979

Crystallization Conditions

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