1W03
Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200BH |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-02-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.770, 71.200, 100.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.990 - 2.100 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bk0 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.872 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.131 | 0.378 |
Number of reflections | 20133 | |
<I/σ(I)> | 5.1 | 3.6 |
Completeness [%] | 98.2 | 87.3 |
Redundancy | 3.36 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL (PH8.5), pH 8.50 |