X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.50 298 10% PEG8000, 0.1M NACL, 0.1M TRIS/ HCL PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 7.50
Unit Cell:
a: 90.770 Å b: 98.270 Å c: 42.050 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 2
Crystal Properties:
Matthew's Coefficient: 2.00 Solvent Content: 39.20
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 2.54 90.91 12212 643 99.0 0.21 0.27 56.289
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
2.540 90.910 99.0 ? 0.079 16.1200 6.700 12857 12857 ? -3.000 ?
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 2.54 2.70 96.3 ? 0.299 4.480 4.60 1965
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID14-1 0.931 ESRF ID14-1
Software
Software Name Purpose Version
XDS data scaling .
XDS data reduction .
PHASER phasing .
REFMAC refinement 5.2.0005
Feedback Form
Name
Email
Institute
Feedback