X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 298 2.7M ammonium phosphate, 0.1M Tris, pH 8.5
Unit Cell:
a: 39.416 Å b: 67.750 Å c: 40.300 Å α: 90.000° β: 93.490° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.11 Solvent Content: 41.75
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 FREE R-VALUE 1.15 40.23 74330 7348 99.00 0.1415 0.1702 17.76
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
1.15 40.23 99.3 0.073 ? 11.7 7.0 ? 74363 ? ? 11.64
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 1.15 1.17 ? 98.2 ? ? 5.9 ?
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 DIAMOND BEAMLINE I03 0.78380 Diamond I03
Software
Software Name Purpose Version
REFMAC refinement 9.0.003
PHENIX refinement 1.20.1_4487
pointless data scaling .
xia2 data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
Feedback Form
Name
Email
Institute
Feedback