7UFW

Pfs230 D1D2 in complex with LMIV230-01

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	2020-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	44.440, 151.370, 99.040
Unit cell angles	90.00, 92.15, 90.00

Refinement procedure

Resolution	19.920 - 2.100
R-factor	0.1911
Rwork	0.190
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jum
RMSD bond length	0.003
RMSD bond angle	0.672
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]	19.920	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	75653	5372
<I/σ(I)>	11
Completeness [%]	99.5
Redundancy	9.6
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M Hepes, pH 6.5, 1.0 M lithium chloride, 20% PEG 6000