7W19

Crystal Structure of Acinetobacter baumannii MPH-E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.973
Spacegroup name	C 2 2 21
Unit cell lengths	86.844, 142.172, 92.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.110 - 1.900
R-factor	0.2262
Rwork	0.224
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igj
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.760	2.170
High resolution limit [Å]	1.880	2.660	1.880
Rmeas	0.154	0.079
Number of reflections	45164	6048	13657
<I/σ(I)>	4.61	12	9
Completeness [%]	99.4	99.1	99.9
Redundancy	10
CC(1/2)	0.997	0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293.15	0.1M Bis-Tris pH 5.7, 18% PEG 3350 (25% PEG 400 as cryoprotectant)