X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.7 289 13.5% PEG 4000, 0.12M Na Malonate, 90mM Na Acetate pH 4.7, 9uM Zn Acetate , VAPOR DIFFUSION, HANGING DROP, temperature 289K
Unit Cell:
a: 56.514 Å b: 84.763 Å c: 133.483 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.42
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION phases known THROUGHOUT 2.250 17.120 22492 926 72.320 0.217 0.262 22.050
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
2.25 20 72.2 ? 0.103 7.1 ? 22494 22494 ? 0. 31.3
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 2.25 2.33 59.1 ? 0.461 1.53 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 77 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON EMBL/DESY, HAMBURG BEAMLINE X13 0.8073 EMBL/DESY, HAMBURG X13
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
PDB_EXTRACT data extraction 2.000
HKL-2000 data collection .
HKL-2000 data reduction .
SCALEPACK data scaling .
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