. Author manuscript; available in PMC: 2013 Jul 26.

Published in final edited form as: J Med Chem. 2012 Jul 13;55(14):6328–6341. doi: 10.1021/jm300238h

Table 4.

X-ray Crystallographic Data Collection and Refinement Statistics for Complexes of 13c, 13f, 13g and 14j with the Wild-type HIV-1 Protease

	13c	13f	13g	14j
Resolution (Å)	1.78	1.40	1.40	1.55
Space group	P2₁2₁2₁	P2₁2₁2₁	P2₁2₁2₁	P2₁2₁2₁
a (Å)	50.73	50.83	50.71	50.73
b (Å)	57.76	57.97	57.93	57.85
c (Å)	61.74	62.00	61.82	61.69
Z	4	4	4	4
R_merge (%)	4.3	5.9	5.4	5.6
Completeness (%)	98.7	99.6	99.1	97.9
Total no. of reflections	121403	252434	244283	169795
No. of unique reflections	17839	36681	36239	26519
R_free (%)	21.7	18.9	20.4	19.6
R_factor (%)	16.0	17.3	17.9	17.0
RMSD in:
Bond lengths (Å)	0.009	0.009	0.009	0.009
RMS Angle (°)	1.310	1.296	1.368	1.393
Temperature (°C)	−80	−80	−80	−80
PDB ID	4DJO	4DJP	4DJQ	4DJR