Data quality metrics extracted from 6uou.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.


Experimental information for 6UOU at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
ELECTRON CRYSTALLOGRAPHY
Source type
_diffrn_source.source
ELECTRON MICROSCOPE
Source details
_diffrn_source.type
Technai F30
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2019-04-04
Detector
_diffrn_detector.type
TemCam-XF416
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.0197
Software
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Refinement
_software.classification
PHENIX (Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
4.73 11.36 39.59 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.01970 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
7.462 7.462 1.100
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
1.000 8.000 1.000
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
0.253 - 0.691
Rmeas
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
0.270 - 0.733
  Rpim - - -
Total number of observations
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
12269 - 3027
Total number unique
_reflns.number_obs _reflns_shell.number_unique_obs
1339 - 312
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
4.12 - 2.13
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
97.4 - 98.1
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
9.2 - 9.7
CC(1/2)
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
0.970 - 0.807

Refinement
PDB entry ID
_entry.id
6UOU
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
1.0 - 1.040 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2495 / 0.2497