X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 291 0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 60.789 Å b: 110.393 Å c: 80.952 Å α: 90.00° β: 99.13° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.28
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 PHENIX AUTOSOl ? 2.000 36.004 69998 3507 98.36 0.2006 0.2455 24.24
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
1.8 79.81 93. 0.071 0.071 ? 7.1 97360 90545 0 0 24.8
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 1.80 1.90 67.9 ? ? 3.4 6.0 9553
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 110 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X25 0.9792 NSLS X25
Software
Software Name Purpose Version
CBASS data collection .
PHENIX model building AUTOSOL
PHENIX refinement (phenix.refine)
MOSFLM data reduction .
SCALA data scaling .
PHENIX phasing AUTOSOL
Feedback Form
Name
Email
Institute
Feedback