Data quality metrics extracted from 1mal.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 1MAL at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Collection date
_diffrn_detector.pdbx_collection_date
1994-01-07
Software
Data reduction
_software.classification
MOSFLM
Phasing
_software.classification
X-PLOR
Model building
_software.classification
X-PLOR
Refinement
_software.classification
X-PLOR
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
131.89 214.79 220.19 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
8.000
High resolution limit [Å]
_reflns.d_resolution_high
3.100
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.088
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
51039
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
95.5
Multiplicity
_reflns.pdbx_redundancy
3.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1MAL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1994-11-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
8.0 - 3.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2170 / 0.2400