7F6U

Crystal structure of metal-citrate-binding mutant (Y221A) 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	2019-08-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	44.420, 108.610, 163.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 1.750
R-factor	0.2054
Rwork	0.204
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.020
RMSD bond angle	2.134
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]	54.300	54.300	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.088	0.053	0.501
Rmeas	0.093	0.057	0.537
Rpim	0.032	0.021	0.192
Total number of observations	324728	2452	16706
Number of reflections	40385	341	2190
<I/σ(I)>	13.2	25.4	2.5
Completeness [%]	100.0	99.4	100
Redundancy	8	7.2	7.6
CC(1/2)	0.997	0.998	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	0.2 M ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% (w/v) PEG 8000