9USA

Whole structure of C44S/C47S double mutant form of human prostamide/prostaglandin F synthase (PGFS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97933
Spacegroup name	P 31 2 1
Unit cell lengths	55.154, 55.154, 107.657
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.690 - 2.300
R-factor	0.2157
Rwork	0.212
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.577
Data reduction software	xia2
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.690	2.370
High resolution limit [Å]	2.300	2.300
Rpim	0.004
Number of reflections	14713	705
<I/σ(I)>	19.18	4.49
Completeness [%]	90.0	81.69
Redundancy	12.4	10.9
CC(1/2)	0.998	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295.15	0.2M ammonium sulfate, 20% (w/v) polyethylene glycol 3350 (PEG 3350)