Data quality metrics extracted from 4jjj.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 4JJJ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
BRUKER AXS MICROSTAR
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-04-30
Detector
_diffrn_detector.type
Bruker Platinum 135
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data collection
_software.classification
PROTEUM PLUS (PLUS)
Data reduction
_software.classification
PROTEUM PLUS (PLUS)
Data scaling
_software.classification
PROTEUM PLUS (PLUS)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.7.0032)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.458 88.494 66.753 90.00 113.72 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
25.000 1.700
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
1.600 1.600
Rmerge
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
0.089 0.251
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs _reflns_shell.number_unique_all
78727 12722
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
15.10 3.81
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
99.4 93.9
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
7.9 3.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4JJJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-03-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.0 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1213 / 0.1638
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4FUS