Fig. 4.

Cross-sections of iso-surfaces of experimental free PCS, with the free structure 3t0h. Large grey and black spheres represent the crystal structure locations of methyl groups, centred on the carbon methyl group with radius of 1 Å, for Valγ1/Leuδ1 and Valγ2/Leuδ2, respectively. Grey and black spheres represent the experimental PCS cross-sections for Valγ1/Leuδ1 and Valγ2/Leuδ2, respectively for the free ntd-HSP90. Each cross-section was calculated using 0.02 ppm error on the PCS, for a cubic grid with sides of 50 points over 5 Å, centred on the methyl group of interest. a Leu70 methyl groups. The two grey and black areas are cross-sections from mutant 50C/54C with mutant 101C/105C and mutant 50C/54C with 149C/187C for Leu70 δ1 and δ2, respectively. b Val150 methyl groups. The grey areas are the γ1 cross-sections from mutant 101C/105C with mutant 149C/187C and from mutant 50C/54C with 149C/187C, the black area is the V150 γ2 cross-section for mutant 50C/54C with mutant 101C/105C. c Val136 methyl groups. In black spheres the PCS iso-surfaces cross-section of mutant 50C/54C with mutant 101C/105C is shown for methyl γ2. In grey spheres are the two PCS iso-surface cross-sections of mutant 50C/54C with 101C/105C and mutant 101C/105C with mutant 149C/187C. Both crystal structure methyl groups are on the edge of the cross-section