- PDB-4z5q: Crystal structure of the LnmZ cytochrome P450 hydroxylase from th... -
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Entry
Database: PDB / ID: 4z5q
Title
Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function
Resolution: 1.801→46.884 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.956 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 6.282 / SU ML: 0.092 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.118 / ESU R Free: 0.116 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. WATERS WERE ...Details: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 4. THE HEME IRON IS MODELED AS FE2+ AND IS LIKELY REDUCED BY X-RAY EXPOSURE. 5. DUE TO EVIDENCE OF RADIATION DAMAGE, ONLY THE FIRST 160 DEGREES OF DATA COLLECTED WERE USED FOR THE FINAL REFINEMENT DATASET. 6. CHLORIDE, MAGNISIUM AND PEG FRAGMENTS FROM THE CRYSTLLIZATOION CONDITIONS HAVE BEEN MODELED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1999
1760
5.1 %
RANDOM
Rwork
0.159
32474
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obs
0.1611
34234
99.68 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
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