| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Source type _diffrn_source.source | TRANSMISSION ELECTRON MICROSCOPE |
Source details _diffrn_source.type | TECNAI F20 TEM |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2015-08-18 |
Detector _diffrn_detector.type | TVIPS F416 CMOS CAMERA |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.0251 |
| Software | |
Data reduction _software.classification | XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de) |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Phasing _software.classification | PHASER (2.7.17; Wed Dec 6 12:15:36 2017 (svn exported); Randy J. Read; cimr-phaser@lists.cam.ac.uk) |
Refinement _software.classification | BUSTER (2.10.3; Gerard Bricogne; buster-develop@GlobalPhasing.com) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 8.56 9.60 39.97 97.17 92.89 105.94 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.02510 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 13.170 | 13.170 | 1.550 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.500 | 6.380 | 1.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.208 | 0.132 | 0.855 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.231 | 0.147 | 1.096 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 7695 | 133 | 398 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 1819 | 25 | 168 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 3.31 | 7.43 | 0.68 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.5 | 86.2 | 89.4 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.2 | 5.3 | 2.4 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.987 | 0.997 | 0.720 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6CFH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-02-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.2 - 1.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2800 / 0.3130 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |