X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 291 0.1M Tris-HCl, pH 8.5, 0.6-0.8M potassium sodium tartrate tetrahydrate, 0.1M guanidine-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 181.33 Å b: 181.33 Å c: 202.88 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 4 2 2
Crystal Properties:
Matthew's Coefficient: 3.31 Solvent Content: 62.86
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 ? 3.896 39.776 15212 689 96.42 0.2569 0.2829 196.163
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
3.896 39.776 99.1 0.077 0.077 18.0 3.9 ? 15624 ? ? 143.280
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 3.896 4.04 99.5 ? 0.883 1.75 3.9 1539
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 SPRING-8 BEAMLINE BL41XU 1.00000 SPring-8 BL41XU
Software
Software Name Purpose Version
BSS data collection .
PHASER phasing .
PHENIX refinement (phenix.refine)
HKL-2000 data reduction .
HKL-2000 data scaling .
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