Experiment | |
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Method _exptl.method | X-RAY DIFFRACTION The method used in the experiment. |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD. |
Software | |
Refinement _software.classification | CNS (Axel T. Brunger; axel.brunger@yale.edu) The classification of the program according to its |
General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 Hermann-Mauguin space-group symbol. Note that the |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 139.178 Unit-cell length a corresponding to the structure reported in 63.350 Unit-cell length b corresponding to the structure reported in 85.672 Unit-cell length c corresponding to the structure reported in 90.00 Unit-cell angle alpha of the reported structure in degrees. 121.23 Unit-cell angle beta of the reported structure in degrees. 90.00 Unit-cell angle gamma of the reported structure in degrees. |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
Data quality metrics | Overall | OuterShell |
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Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 The largest value in angstroms for the interplanar spacings | 1.720 The highest value in angstroms for the interplanar spacings |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 The smallest value in angstroms for the interplanar spacings | 1.700 The smallest value in angstroms for the interplanar spacings |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.052 The R sym value as a decimal number. | 0.172 R sym value in percent. |
Rmeas | - | - |
Rpim | - | - |
Total number of observations | - | - |
Total number unique _reflns.number_obs | 68611 The number of reflections in the REFLN list (not the DIFFRN_REFLN | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 20.30 The mean of the ratio of the intensities to their | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.7 The percentage of geometrically possible reflections represented | 96.6 The percentage of geometrically possible reflections represented |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.3 Overall redundancy for this data set. | 4.6 Redundancy for the current shell. |
CC(1/2) | - | - |
Refinement | |
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PDB entry ID _entry.id | 2AI8 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-07-29 |