X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 296 15% PEG 4000, 0.3 M NaCl, 0.1 M Sodium Citrate, pH 5.5, vapor diffusion, hanging drop, temperature 296K
Unit Cell:
a: 117.432 Å b: 117.432 Å c: 160.420 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 3
Crystal Properties:
Matthew's Coefficient: 4.05 Solvent Content: 69.61
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 ? ? 3.0255 48.4730 45007 2261 93.1100 0.2028 0.2433 99.7430
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
3.020 50.000 99.600 0.118 ? 6.000 7.900 48338 48077 ? -3 ?
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 3.020 3.130 96.000 ? ? ? 4.300 ?
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 NSLS BEAMLINE X25 1.10000 NSLS X25
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
PHENIX refinement dev_1391
PDB_EXTRACT data extraction 3.11
HKL-3000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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