X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 292 HANGING-DROP VAPOUR-DIFFUSION METHOD AT 19 CELSIUS. CRYSTALLIZATION CONDITIONS: 20% PEG-4000, 20% ISO-PROPANOL, 0.1 M NA CITRATE
Unit Cell:
a: 105.750 Å b: 105.750 Å c: 51.420 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 4 21 2
Crystal Properties:
Matthew's Coefficient: 2.84 Solvent Content: 56.74
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 1.60 74.74 37079 1953 99.9 0.202 0.218 21.98
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
1.60 26.44 100.0 0.12 ? 11.40 7.1 ? 37079 ? 2.0 ?
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 1.60 1.69 100.0 ? 3.10 7.0
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 ESRF BEAMLINE ID14-1 ? ESRF ID14-1
Software
Software Name Purpose Version
REFMAC refinement 5.3.0037
MOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
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