X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 292 30 mM Sodium fluoride; 30 mM Sodium bromide; 30 mM Sodium iodide 100 mM Imidazole; MES (acid) pH 6.5 20% v/v Ethylene glycol; 10 % w/v PEG 8000
Unit Cell:
a: 53.866 Å b: 63.284 Å c: 65.968 Å α: 69.72° β: 80.44° γ: 79.72°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.40
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 1.24 36.92 204361 1991 90.22 0.1382 0.1639 ?
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
1.24 36.92 90.2 0.045 ? 12.74 3.79 ? 204430 ? ? 17.36
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 1.24 1.32 ? ? ? 1.2 ? ?
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 PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) 1.000 PETRA III, EMBL c/o DESY P13 (MX1)
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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