X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 277 0.2M NH4(CH3COO), 0.1M TRIS, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Unit Cell:
a: 46.333 Å b: 61.410 Å c: 143.651 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.18 Solvent Content: 43.45
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 1.75 32.00 40100 2038 99.81 0.20166 0.2475 22.244
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
1.75 61.430 99.900 0.063 0.063 7.300 6.700 42261 42219 ? ? ?
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 1.75 1.84 99.50 ? 0.876 0.8 5.50 ?
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 SLS BEAMLINE X10SA ? SLS X10SA
Software
Software Name Purpose Version
SCALA data scaling .
PHASER phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 2.000
HKL-2000 data collection .
MOSFLM data reduction .
CCP4 data scaling (SCALA)
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