X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.6 ? 30% (W/V) PEG 3350, 0.3 M NAI, pH 6.6
Unit Cell:
a: 174.840 Å b: 85.610 Å c: 61.120 Å α: 90.00° β: 96.83° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 44.5
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 ? 2.49 33.468 30660 1532 92.74 0.1752 0.226 39.7
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
2.48 35.90 98.1 0.09 ? 13.10 3.7 ? 30821 ? 0.0 34.31
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 2.48 2.61 87.7 ? 2.30 3.1
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 MAX II BEAMLINE I911-5 ? MAX II I911-5
Software
Software Name Purpose Version
PHENIX refinement (PHENIX.REFINE)
MOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback