X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 289 PEG 3350, MPD, ZnAc, NaCacod, pH 6.5, hanging drop, temperature 289K
Unit Cell:
a: 41.015 Å b: 83.188 Å c: 69.500 Å α: 90.00° β: 97.60° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 49.55
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 MOLECULAR REPLACEMENT ? 2.400 19.766 16788 846 92.55 0.2324 0.3062 ?
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
2.400 19.910 92.600 0.097 ? 7.400 2.950 ? 16790 ? ? ?
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 2.400 2.490 86.400 ? ? 3.1 2.980 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
ROTATING ANODE RIGAKU MICROMAX-002 1.5418 ? ?
Software
Software Name Purpose Version
d*TREK data scaling 9.7 W8RSSI
PHASER phasing 2.1.4
PHENIX refinement 1.7_650
PDB_EXTRACT data extraction 3.10
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