Resolution: 1.76→72.55 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: For CG1 and CG2 of VAL 325, it can not be distinguished which of CG1 or CG2 is in an alternated configuration. occupancy(A) of CG1+occupancy(A) of CG2=1, occupancy(A) of CG1+occupancy(B) of ...Details: For CG1 and CG2 of VAL 325, it can not be distinguished which of CG1 or CG2 is in an alternated configuration. occupancy(A) of CG1+occupancy(A) of CG2=1, occupancy(A) of CG1+occupancy(B) of CG2=1, and occupancy(A) of CG2+occupancy(B) of CG2=1
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.217
2483
4.9 %
RANDOM
Rwork
0.198
-
-
-
obs
-
49863
99.3 %
-
Solvent computation
Bsol: 54.289 Å2
Displacement parameters
Biso mean: 29.725 Å2
Baniso -1
Baniso -2
Baniso -3
1-
6.181 Å2
2.19 Å2
0 Å2
2-
-
6.181 Å2
0 Å2
3-
-
-
-12.361 Å2
Refinement step
Cycle: LAST / Resolution: 1.76→72.55 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2833
0
1
244
3078
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
c_bond_d
0.005
X-RAY DIFFRACTION
c_angle_deg
1.382
Xplor file
Refine-ID
Serial no
Param file
X-RAY DIFFRACTION
1
protein_rep.param
X-RAY DIFFRACTION
2
water_rep.param
X-RAY DIFFRACTION
3
carbohydrate.param
X-RAY DIFFRACTION
4
ion.param
+
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