| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SEALED TUBE |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1986 |
Detector _diffrn_detector.type | HILGER-WATTS |
| Software | |
Phasing _software.classification | SHELXL-93 |
Model building _software.classification | SHELXL-93 |
Refinement _software.classification | SHELXL-93 |
| 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} | 26.53 28.82 9.06 88.90 96.64 123.85 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 25.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.200 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.012 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 6715 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.50 |
Completeness [%] _reflns.percent_possible_obs | 93.7 |
Multiplicity _reflns.pdbx_redundancy | 1.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1JOH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.0 - 1.400 Å |
R _refine.ls_R_factor_obs | 0.1560 WARNING: neither Rwork nor Rfree given |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | RESIDUES 6 - 16 OF LEU1-ZERVAMICIN WITH ALL NON -EQUIVALENT SIDE-CHAINS TRIMMED TO ALA. |