Table 1. Summary of X-ray diffraction experiments on H-PGDS crystals.

The best data from two or three X-ray diffraction analyses of each H-PGDS–inhibitor complex are shown in the table. The data set was collected to the resolution range at which I/σ(I) >2 and R _merge < 50%.

							Unit-cell parameters							Maximum resolution (Å)
Inhibitor	IC50 (nM)	Space or ground	No. of capillaries	Crystal dimensions (mm)	Position in the capillary† (mm)	Space group	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	Mosaicity (°)	Data set	Observed
Free	—	Space	5	0.3 × 0.03 × 0.03	20–30	P21	48.5	47.3	184.3	90.0	97.0	90.0	0.54	1.5	1.5
		Ground	5	0.3 × 0.02 × 0.02	30–40	P21	48.4	47.4	184.8	90.0	97.9	90.0	2.47	1.7	‡
A	400	Space	3	0.3 × 0.1 × 0.05	30–40	P1	47.0	48.6	89.6	96.2	90.0	90.0	0.56	1.1	1.1
		Ground	3	0.3 × 0.02 × 0.02	30–40	P1	48.8	47.2	93.4	87.1	80.1	90.1	3.39	2.0	‡
B	50	Space	3	0.1 × 0.1 × 0.05	30–40	P1	46.9	48.2	89.4	83.9	90.0	90.0	0.62	1.1	1.1
		Ground	3	0.1 × 0.1 × 0.05	30–40	P1	47.1	48.1	89.7	84.3	89.9	89.9	0.81	1.5	1.8
C	4400	Space	2	0.1 × 0.1 × 0.05	30–40	P1	46.9	48.0	88.9	84.3	89.9	89.9	1.48	1.4	1.8
		Ground	2	0.1 × 0.1 × 0.05	30–40	§	§	§	§	§	§	§	§	2.0	§
HQL-79	5900	Space	2	0.3 × 0.1 × 0.05	30–40	P1	46.9	48.7	89.3	95.8	89.9	90.1	1.71	1.3	1.3
		Ground	4	0.1 × 0.1 × 0.05	30–40	P1	47.0	48.3	89.2	95.7	90.2	89.9	1.28	1.5	1.5

^†Position of the crystal from the bottom of the capillary.

^‡An X-ray diffraction data set was not collected because of high mosaicity.

^§An X-ray diffraction data set was not collected because of the poor quality of the diffraction.