X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 298 2.8 M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Unit Cell:
a: 117.550 Å b: 117.550 Å c: 123.210 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: I 4
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.22
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 2.0000 19.9900 47085 2389 83.9700 0.1854 0.2223 32.063
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
2.000 50.000 99.900 0.111 ? 7.600 7.600 ? 56531 ? ? ?
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 2.000 2.030 99.700 ? ? ? 6.600 2806
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 NSLS BEAMLINE X29A 1.075 NSLS X29A
Software
Software Name Purpose Version
SCALEPACK data scaling .
PHASER phasing .
REFMAC refinement .
PDB_EXTRACT data extraction 3.10
CBASS data collection .
HKL-2000 data reduction .
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