8HQ9

Crystal structure of the MlaD domain of the MlaD protein from Escherichia coli (Form II)

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	2020-01-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 2 21
Unit cell lengths	60.420, 106.950, 117.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.980 - 2.700
R-factor	0.20686
Rwork	0.204
R-free	0.26108
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.827
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]	79.100	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.148	0.612
Rmeas	0.157	0.650
Rpim	0.052	0.216
Total number of observations	190212	24884
Number of reflections	21557	2805
<I/σ(I)>	12.6	3.9
Completeness [%]	100.0
Redundancy	8.8	8.9
CC(1/2)	0.996	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5	293	0.2 M magnesium chloride hexahydrate, 0.1 M sodium citrate tribasic dihyrate pH 5.0, 10% (w/v) PEG 20000