#1: Journal: Acta Crystallogr.,Sect.F / Year: 2005 Title: Crystallization and Preliminary X-Ray Analysis of a Novel Thermoalkalophilic Poly(3-Hydroxybutyrate) Depolymerase (Phaz7) from Paucimonas Lemoignei. Authors: Kapetaniou, E.G. / Braaz, R. / Jendrossek, D. / Papageorgiou, A.C.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.9→99 Å / Num. obs: 53749 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Redundancy: 15 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 30.1
Reflection shell
Resolution: 1.9→1.93 Å / Rmerge(I) obs: 0.22 / Mean I/σ(I) obs: 6.5 / % possible all: 94
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
SHARP
phasing
Refinement
Method to determine structure: MIR / Resolution: 1.9→87.04 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.939 / SU B: 2.553 / SU ML: 0.077 / Cross valid method: THROUGHOUT / ESU R: 0.132 / ESU R Free: 0.126 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: RESIDUES 293 AND 294 FROM BOTH SUBUNITS HAVE NOT BEEN MODELLED DUE TO LACK OF DENSITY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.188
2609
4.9 %
RANDOM
Rwork
0.142
-
-
-
obs
0.145
51068
99.3 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK