SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
TRNA-DIHYDROURIDINESYNTHASEC / DIHYDROURIDINE SYNTHASE C
Mass: 38076.301 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI K-12 (bacteria) / Strain: MG1655 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ROSETTA PLYSS References: UniProt: P33371, Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9808 Å / Relative weight: 1
Reflection
Resolution: 2.6→59.8 Å / Num. obs: 17124 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 7.7 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 12.2
Reflection shell
Resolution: 2.6→2.74 Å / Redundancy: 7.9 % / Rmerge(I) obs: 0.843 / Mean I/σ(I) obs: 2.2 / % possible all: 100
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Processing
Software
Name
Version
Classification
BUCCANEER
modelbuilding
SCALA
datascaling
SHELXCD
phasing
PHASER
phasing
PARROT
phasing
BUCCANEER
phasing
REFMAC
5.7.0032
refinement
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.6→58.17 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.94 / SU B: 15.027 / SU ML: 0.16 / Cross valid method: THROUGHOUT / ESU R: 0.318 / ESU R Free: 0.229 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21447
860
5 %
RANDOM
Rwork
0.17668
-
-
-
obs
0.17858
16226
99.64 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK