response to hypochlorite / cupric reductase (NADH) activity / oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor / oxidoreductase activity, acting on NAD(P)H / flavin adenine dinucleotide binding / protein homodimerization activity Similarity search - Function
Pyridine nucleotide-disulphide oxidoreductase / Pyridine nucleotide-disulphide oxidoreductase, class I / Pyridine nucleotide-disulphide oxidoreductase, class I, active site / Pyridine nucleotide-disulphide oxidoreductases class-I active site. / Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain / Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain / FAD/NAD-linked reductase, dimerisation domain superfamily / FAD/NAD(P)-binding domain / Pyridine nucleotide-disulphide oxidoreductase / FAD/NAD(P)-binding domain superfamily Similarity search - Domain/homology
Method to determine structure: MOLECULAR REPLACEMENT Starting model: sequence based de novo model (Galaxy Web server) Resolution: 2.9→40.37 Å / SU ML: 0.4122 / Cross valid method: FREE R-VALUE / σ(F): 1.58 / Phase error: 27.3977
Rfactor
Num. reflection
% reflection
Rfree
0.2793
2010
3.72 %
Rwork
0.233
-
-
obs
0.2348
54069
96.43 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parameters
Biso mean: 39.43 Å2
Refinement step
Cycle: LAST / Resolution: 2.9→40.37 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
13495
0
215
26
13736
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.0026
13994
X-RAY DIFFRACTION
f_angle_d
0.5293
19034
X-RAY DIFFRACTION
f_chiral_restr
0.043
2204
X-RAY DIFFRACTION
f_plane_restr
0.0031
2463
X-RAY DIFFRACTION
f_dihedral_angle_d
8.1982
9900
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.9-2.94
0.3075
100
0.2595
2710
X-RAY DIFFRACTION
70.43
2.94-3.02
0.3577
148
0.2658
3611
X-RAY DIFFRACTION
93.41
3.02-3.11
0.3145
152
0.2465
3660
X-RAY DIFFRACTION
96.09
3.11-3.21
0.28
136
0.2448
3736
X-RAY DIFFRACTION
97.31
3.21-3.32
0.2914
142
0.2528
3805
X-RAY DIFFRACTION
98.36
3.32-3.46
0.3004
149
0.2533
3780
X-RAY DIFFRACTION
98.67
3.46-3.61
0.3178
141
0.2428
3851
X-RAY DIFFRACTION
99.2
3.61-3.8
0.2798
153
0.2293
3803
X-RAY DIFFRACTION
99
3.8-4.04
0.2828
139
0.2175
3848
X-RAY DIFFRACTION
99.55
4.04-4.35
0.2501
142
0.2153
3820
X-RAY DIFFRACTION
99.77
4.35-4.79
0.2751
157
0.2091
3865
X-RAY DIFFRACTION
99.73
4.79-5.48
0.2523
151
0.2236
3829
X-RAY DIFFRACTION
99.62
5.48-6.9
0.2789
146
0.25
3865
X-RAY DIFFRACTION
99.9
6.9-40.37
0.2464
154
0.2269
3876
X-RAY DIFFRACTION
98.85
+
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