Data quality metrics extracted from 1maa.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 1MAA at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X11
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1996-12
Detector
_diffrn_detector.type
MARRESEARCH
Software
Data reduction
_software.classification
DENZO
Data scaling #1
_software.classification
SCALA
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
X-PLOR (3.8)
Model building
_software.classification
X-PLOR (3.8)
Refinement
_software.classification
X-PLOR (3.8)
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}
136.55 173.13 224.25 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.90700 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
20.000
High resolution limit [Å]
_reflns.d_resolution_high
2.900
Rmerge
_reflns.pdbx_Rsym_value
0.105
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
107379
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
7.00
Completeness [%]
_reflns.percent_possible_obs
92.0
Multiplicity
_reflns.pdbx_redundancy
2.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1MAA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-11-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2000 / 0.2480
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1MAH