X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.2 M Ammonium Nitrate, 20% w/v PEG3350
Unit Cell:
a: 93.142 Å b: 93.142 Å c: 130.574 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63 2 2
Crystal Properties:
Matthew's Coefficient: 2.46 Solvent Content: 49.90
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 THROUGHOUT 2.3280 46.5710 22319 1164 82.1700 0.2027 0.2387 54.9670
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
2.3280 130.57 82.1 0.063 ? 16.6 7.1 ? 22319 ? ? ?
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 2.33 2.41 ? ? ? ? ? ?
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
SYNCHROTRON PETRA III, DESY BEAMLINE P11 1.033210 PETRA III, DESY P11
Software
Software Name Purpose Version
REFMAC refinement 5
PHENIX refinement 1.16_3549
PDB_EXTRACT data extraction 3.25
DIALS data reduction .
Aimless data scaling .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback