Table 2. PDB data sets used to test the S_M -ipp and S_M phasing algorithms corresponding to compounds with strong scatterers.

Residues, space group, c, %Sol and d _min as in Table 1 ▸. N = number of non-H atoms in the unit cell (PDB); M and S = number of medium and strong scatterers; H₂O = number of refined water molecules. Data sets 2bf9, 8rxn and 1c7k measured at room temperature; otherwise at 100 K.

PDB code	Compound	Residues	Space group	N/c	(M+S)/c	H2O/c	%Sol	d min
2bf9	aPP(1)	36	C2	768	2Zn	164	31	1.00
8rxn	Rubredoxin(2)	52	P21	1010	12S+2Fe	204	35	1.00
1w3m	Tsushimycin(3)	132	P1	1276	10Cl+24Ca	191	35	1.00
2ov0	Amicyanin(4)	105	P21	2060	6S+2P+2Cu	432	34	0.95
1c75	Cythochrome 553(5)	71	P212121	2660	12S+4Fe	500	38	0.97
3d1p	Transferase(6)	120	C2	2702	2S+2Cl+4Se	498	29	0.95
1pwl	Aldose reductase Br(7)	316	P1	3030	14S+3P+1Br	429	25	1.10
1a6m	Myoglobin(8)	151	P21	3154	8S+2Fe	372	36	1.00
41au	Geodin(9)	161	P21	3278	2Ca+ 6Se†	740	40	0.99
1eb6	Deuterolysin(10)	177	P21	3300	12S+2Zn	518	39	1.00
1b0y	H42Q(11)	85	P212121	3348	36S+16Fe	824	30	0.90
1x8q	Nitro­phorin 4C(12)	184	C2	3662	10S+2Fe	720	24	0.90
2fdn	Ferredoxin(13)	55	P4322	3964	128S+64Fe	768	35	1.00
3fsa	Azurin(14)	125	P212121	4488	36S+4Cu	856	38	1.00
1c7k	Endoprotease Zn(15)	132	P212121	4532	12S+4Ca+4Zn	464	37	1.00
3ks3	H. C. anhydrase II(16)	260	P21	5626	6S+2Zn	962	41	0.95
1heu	L. A. de­hydrogenase(17)	748	P1	7618	58S+4Cd	1297	50	1.15

(1) Glover et al. (1983 ▸); (2) Dauter et al. (1992 ▸); (3) Bunkóczi et al. (2005 ▸); (4) Carrell et al. (unpublished); (5) Benini et al. (2000 ▸); (6) Nocek et al. (unpublished); (7) El-Kabbani et al. (2004 ▸); (8) Vojtěchovský et al. (1999 ▸); (9) Fanfrlik et al. (2013 ▸); (10) McAuley et al. (2001 ▸); (11) Parisini et al. (1999 ▸); (12) Kondrashov et al. (2004 ▸); (13) Dauter et al. (1997 ▸); (14) Sato et al. (2009 ▸); (15) Kurisu et al. (2000 ▸); (16) Avvaru et al. (2010 ▸); (17) Meijers et al. (2001 ▸).

^†Four disordered Se positions.