X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298 1.75 M AMMONIUM CHLORIDE, 0.1M BIS-TRIS, PH 7.0, 298 K
Unit Cell:
a: 110.280 Å b: 110.280 Å c: 128.240 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 3.5 Solvent Content: 65.6
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 ? 2.30 53.235 13416 669 99.03 0.1981 0.2306 42
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
2.30 53.24 99.2 0.07 ? 14.40 5.2 ? 13419 ? ? 40.9
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 2.30 2.42 99.9 ? 3.00 5.2 ?
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 DIAMOND BEAMLINE I02 ? Diamond I02
Software
Software Name Purpose Version
PHENIX refinement (PHENIX.REFINE: DEV_1284)
MOSFLM data reduction .
SCALA data scaling .
PHASER phasing .
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