X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 1.6M AMMONIUM SULPHATE, 6% PEG 400, 0.1M HEPES PH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 86.079 Å b: 86.079 Å c: 147.029 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 41 21 2
Crystal Properties:
Matthew's Coefficient: 3.20 Solvent Content: 61.56
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 ? 2.3900 33.80 22451 3688 95.3900 0.1873 0.2189 41.6862
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
2.39 33.8040 99.300 0.089 ? 9.3 5.000 ? 22451 ? ? 44.565
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 2.39 2.55 98.7 ? ? 2.6 4.6 3937
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 I04-1 0.91730 Diamond I04-1
Software
Software Name Purpose Version
SCALA data scaling 0.1.16
PHASER phasing 2.3.0
PHENIX refinement 1.8.1_1168
PDB_EXTRACT data extraction 3.11
GDA data collection .
MOSFLM data reduction .
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