7XW1

The crystal structure of AhpD from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 63 2 2
Unit cell lengths	92.976, 92.976, 65.957
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.880 - 2.360
R-factor	0.2552
Rwork	0.249
R-free	0.31270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o4d
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.880	19.880	2.450
High resolution limit [Å]	2.360	8.840	2.360
Rmerge	0.270	0.201	2.953
Rmeas	0.277	0.208	3.082
Rpim	0.062	0.052	0.854
Total number of observations	142387	2544	7571
Number of reflections	7200	163	652
<I/σ(I)>	7.8	14.4	0.9
Completeness [%]	98.4	91.5	86.5
Redundancy	19.8	15.6	11.6
CC(1/2)	0.984	0.974	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.4 M Sodium malonate pH 7.0