7F6T

Crystal structure of metal-citrate-binding mutant (Y221F) 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	2019-08-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	44.700, 108.370, 163.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.240 - 1.900
R-factor	0.1743
Rwork	0.173
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f6e
RMSD bond length	0.016
RMSD bond angle	2.051
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]	54.240	54.180	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.071	0.021	0.504
Rmeas	0.078	0.024	0.556
Rpim	0.032	0.010	0.232
Total number of observations		1666	11373
Number of reflections	31862	342	2042
<I/σ(I)>	18	49.8	3.4
Completeness [%]	100.0	99.6	100
Redundancy	5.7	4.9	5.6
CC(1/2)	0.999	0.999	0.867

Crystallization Conditions

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