7TZL

The DH dehydratase domain of AlnB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03316
Spacegroup name	P 21 21 21
Unit cell lengths	63.938, 73.973, 129.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.370 - 2.450
R-factor	0.2485
Rwork	0.246
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kg8
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.370	2.440
High resolution limit [Å]	2.350	2.350
Rmerge	0.125
Number of reflections	24748	1685
<I/σ(I)>	5.8	0.4
Completeness [%]	94.3	67.4
Redundancy	3.3	2.2
CC(1/2)	0.996	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	12 mg/mL, 0.2 M Ammonium Sulfate, 0.1 M Tris pH 6.0, 29% PEG 3350