X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.02M DL-Glutamic acid H2O, 0.02M DL-Alanine, 0.02M Glycine, 0.02M DL-Lysine monohydrochloride, 0.02M DL-Serine, 0.1M Sodium HEPES, MOPS(acid) pH 7.5, 12.5% v/v MPD, 12.5% PEG1000, 12.5% (W/V) PEG3350
Unit Cell:
a: 110.022 Å b: 110.022 Å c: 120.971 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.34 Solvent Content: 63.17
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 FREE R-VALUE 2.94 32.52 17972 928 96.88 0.2258 0.2760 ?
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
2.94 50 99.8 ? ? 22.7 9.6 ? 18517 ? ? ?
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 2.94 3.00 ? ? ? ? ? ?
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 PAL/PLS BEAMLINE 7A (6B, 6C1) 1 PAL/PLS 7A (6B, 6C1)
Software
Software Name Purpose Version
PHENIX refinement (1.20_4459: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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