8HQA

Crystal structure of the ectodomain of the MlaD protein from Escherichia coli in the resting 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	2019-12-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	64.280, 64.280, 231.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.930 - 3.200
R-factor	0.21008
Rwork	0.206
R-free	0.27543
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.812
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.020	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.166	0.552
Rmeas	0.175	0.582
Rpim	0.053	0.177
Total number of observations	86434	15458
Number of reflections	8680	1516
<I/σ(I)>	9.6	3.5
Completeness [%]	99.8
Redundancy	10	10.2
CC(1/2)	0.994	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	293	0.01 M nickel(II) chloride hexahydrate, 0.1 M tris pH 8.5, 20% (w/v) PEG monoethyl ether 2000