1QJE
Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.670, 71.910, 101.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.350 |
R-factor | 0.1309 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bk0 |
RMSD bond length | 0.020 |
RMSD bond angle | 0.043 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | SHELXL |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.078 * | 0.290 |
Total number of observations | 404650 * | |
Number of reflections | 69285 | 1595 * |
<I/σ(I)> | 8.4 | 1.8 |
Completeness [%] | 92.2 | 43 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 17 * | 1.8M LITHIUM SULPHATE, 100MM TRIS/HCL (PH8.5), (5MM FERROUS SULPHATE, 70 MM ACMC, 50MG/ML IPNS), pH 8.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | lithium sulfate | 1.8 (M) | |
2 | 1 | reservoir | Tris-HCl | 100 (mM) |