Table 1.

Parameters of proteins, hydration layers, and the fits to the experimental curves

	Lysozyme	Thioredoxine reductase	Ribonucleotide reductase R1
Molecular mass, kDa	14.5	68	160
Excluded volume, nm3	17.4	80.6	202.6
X-ray parameters
Rg atomic structure, nm	1.407	2.732	3.845
Rg experimental, nm	1.54 ± 0.02	2.82 ± 0.04	4.22 ± 0.04
δρb, e/nm3	25	60	10
χ, best fit	0.48	0.78	1.90
χ0, best fit at δρb = 0	0.78	1.39	2.00
Relative shell density	1.07	1.18	1.03
Neutron parameters in H2O
Rg atomic structure, nm	1.392 [1.395]*	2.734	3.864
Rg experimental, nm	1.38 ± 0.02	2.74 ± 0.05	–
δρb, 1010 cm−2	−0.06 [−0.06]	−0.11	−0.10
χ, best fit	1.7 [1.7]	1.8	1.6
χ0, best fit at δρb = 0	1.8 [1.8]	2.0	1.7
Relative shell density	1.11 [1.11]	1.20	1.18
Neutron parameters in D2O
Rg atomic structure, nm	1.420 [1.372]	2.741	3.859
Rg experimental, nm	1.24 ± 0.02	2.66 ± 0.03	–
δρb, 1010 cm−2	0.40 [0.36]	0.58	0.96
χ, best fit	2.2 [2.2]	1.8	2.8
χ0, best fit at δρb = 0	2.7 [2.6]	3.0	3.9
Relative shell density	1.06 [1.05]	1.09	1.15
Average relative density	1.08 ± 0.02	1.16 ± 0.05	1.12 ± 0.06

^*Values in brackets are evaluated from the neutron diffraction model of lysozyme.