Data quality metrics extracted from 4uam.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 4UAM 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX1
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-03-16
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.7311
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Model building
_software.classification
Coot
Refinement
_software.classification
PHENIX (1.9_1692)
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}
49.99 75.91 82.36 83.45 75.30 74.01
Wavelength
_diffrn_radiation_wavelength.wavelength
1.283501.73110 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.930 44.930 1.850
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 8.050 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.055 0.019 0.481
Rmeas 
_reflns_shell.pdbx_Rrim_I_all
 - 0.027 0.569
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 3820 27583
Total number unique 
_reflns_shell.number_unique_obs
 - 1961 13902
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 18.08 42.02 2.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.8 83.7 92.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.9 - 3.9
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4UAM
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.9 - 1.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1615 / 0.1820
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 2DOO