7U9E

Pfs230 D1 domain in complex with 230AL-26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 2
Unit cell lengths	106.590, 150.940, 103.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.390
R-factor	0.2267
Rwork	0.225
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.810	2.470
High resolution limit [Å]	2.390	2.390
Number of reflections	31739	6618
<I/σ(I)>	9.76
Completeness [%]	94.8
Redundancy	3.27
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.16 M MES, pH 6.5, 1.6 M ammonium sulfate, 10 % dioxane