X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6 294 2M lithium sulfate, 0.1M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Unit Cell:
a: 54.070 Å b: 54.070 Å c: 55.578 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.22 Solvent Content: 61.81
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 FOURIER SYNTHESIS THROUGHOUT 1.6020 27.0300 12057 621 99.5400 0.1369 0.1555 22.1160
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
1.6 50 99.7 0.118 0.118 24.9 19.5 ? 13182 ? -3 17.5
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 1.6 1.63 99.7 ? ? 3.3 9.5 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 113 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-B 0.90511 APS 23-ID-B
Software
Software Name Purpose Version
REFMAC refinement 5.8
PDB_EXTRACT data extraction 3.15
HKL-2000 data reduction .
PHASER phasing .
SHARP phasing .
Coot model building .
HKL-2000 data scaling .
Feedback Form
Name
Email
Institute
Feedback