X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 0.1 M MES, 6.25 % w/v PEG 2000, 6.25 % w/v PEG 3350, 6.25 % w/v PEG 4000, 6.25 % w/v PEG 5000 MME, pH 6.5
Unit Cell:
a: 69.803 Å b: 98.013 Å c: 69.827 Å α: 90.00° β: 116.35° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.25
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 2.10 36.81 47835 2003 97.27 0.1528 0.1873 ?
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
2.10 38.58 97.5 0.058 ? 8.8 2.8 ? 47945 ? ? ?
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 2.10 2.16 ? ? ? ? 1.6 ?
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 SSRF BEAMLINE BL10U2 0.97918 SSRF BL10U2
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
Aimless data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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