X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.8 289.15 0.1M sodium acetate, 0.1M NaCl, 0.1M CaCl2, 15% PEG 2K,5% (w/v) N-dodecyl-beta-D-maltoside, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 289.15K
Unit Cell:
a: 187.377 Å b: 116.618 Å c: 73.395 Å α: 90.00° β: 103.48° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.95 Solvent Content: 58.24
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 ? 2.4 29.154 59488 2990 98.00 0.1658 0.2050 ?
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
2.4 30.0 98.6 ? 0.069 ? 7.1 59496 59496 0 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 2.4 2.5 94.4 ? 0.401 3.6 6.4 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 193.15 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 21-ID-F 0.97872 APS 21-ID-F
Software
Software Name Purpose Version
HKL-2000 data collection .
PHASER phasing .
PHENIX refinement (phenix.refine: 1.8.1_1168)
HKL-2000 data reduction .
HKL-2000 data scaling .
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