X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293 Sodium acetate trihydrate, PEG 3,350, 1,5-Diaminopentane dihydrochloride
Unit Cell:
a: 63.410 Å b: 82.190 Å c: 82.660 Å α: 68.614° β: 77.361° γ: 77.488°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.21
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 1.900 46.456 117709 5886 99.592 ? 0.2134 28.057
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
1.90 46.46 99.4 ? ? 9.83 6.95 ? 117709 ? ? 32.2
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 1.90 1.95 98.9 ? ? 1.61 6.8 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 93 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SLS BEAMLINE X06DA 1.00003 SLS X06DA
Software
Software Name Purpose Version
REFMAC refinement 5.8.0253
XDS data reduction .
XDS data scaling .
PHASER phasing .
Coot model building .
Feedback Form
Name
Email
Institute
Feedback