X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.3 277 NANODROP, 0.2M K3 Citrate, 20% PEG 3350, No Buffer, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 174.965 Å b: 174.965 Å c: 71.888 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 2.36 Solvent Content: 47.95
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 MAD THROUGHOUT 2.000 29.161 28395 1437 99.800 0.164 0.215 34.152
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
2.000 29.161 99.800 0.089 0.089 6.400 5.100 ? 28396 ? ? 30.89
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 2.00 2.05 99.60 ? 0.731 1.1 4.60 2063
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 SSRL BEAMLINE BL1-5 0.918381, 0.979310, 0.978835 SSRL BL1-5
Software
Software Name Purpose Version
MolProbity model building 3beta29
SHELX phasing .
REFMAC refinement 5.2.0005
SCALA data scaling .
PDB_EXTRACT data extraction 2.000
ADSC data collection QUANTUM
MOSFLM data reduction .
CCP4 data scaling (SCALA)
SHELXD phasing .
SHARP phasing .
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