X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293 calcium acetate, PEG400, acetate, NAD+
Unit Cell:
a: 61.399 Å b: 61.509 Å c: 70.873 Å α: 113.71° β: 92.14° γ: 109.32°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.08 Solvent Content: 40.87
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 THROUGHOUT 1.89 30.19 68311 3308 97.08 0.1817 0.2202 ?
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
1.89 48.70 97.1 0.027 ? 22.6 3.5 ? 68325 ? ? ?
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 1.89 1.93 ? 96.4 ? ? 3.6 ?
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 PHOTON FACTORY BEAMLINE BL-5A 1.0 Photon Factory BL-5A
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
Aimless data scaling .
XDS data reduction .
PDB_EXTRACT data extraction .
MOLREP phasing .
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