7F6S

Crystal structure of metal-citrate-binding mutant (T199A) 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	2019-07-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	44.290, 108.850, 163.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 1.800
R-factor	0.1528
Rwork	0.151
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.017
RMSD bond angle	2.145
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]	48.800	48.750	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.069	0.040	0.487
Rmeas	0.073	0.043	0.514
Rpim	0.023	0.014	0.165
Total number of observations		2972	20436
Number of reflections	37221	355	2179
<I/σ(I)>	19	37.6	3.8
Completeness [%]	100.0	99.6	100
Redundancy	9.6	8.4	9.4
CC(1/2)	0.999	0.999	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293	0.2 M ammonium tartrate dibasic pH 7.0, 20% PEG 3350