Data quality metrics extracted from 1jtn.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 1JTN 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
SYNCHROTRON
Source details
_diffrn_source.type
SSRL BEAMLINE BL9-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-1
Temperature [K]
_diffrn.ambient_temp
170
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2001-02-23
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.773
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
AMoRE
Refinement
_software.classification
TNT
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}
60.125 32.314 85.925 90.00 102.64 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.77300 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
19.600
High resolution limit [Å]
_reflns.d_resolution_high
2.300
Rmerge
_reflns.pdbx_Rsym_value
4.400
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
14476
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
13.60
Completeness [%]
_reflns.percent_possible_obs
98.2
Multiplicity
_reflns.pdbx_redundancy
3.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1JTN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-08-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.6 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2200 / 0.3140
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ID 2LZM