2Y60
Isopenicillin N synthase with AC-D-methionine
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 | 1998-06-20 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.523, 70.882, 100.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.450 - 1.400 |
R-factor | 0.14701 |
Rwork | 0.145 |
R-free | 0.19934 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bk0 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.068 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.330 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 55964 | |
<I/σ(I)> | 9.4 | 1.9 |
Completeness [%] | 83.8 | 85.1 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1.0M LITHIUM SULPHATE, 76MM TRIS/HCL, PH 8.5, 2.0MM FERROUS SULPHATE, 2.6MG/ML TRIPEPTIDE, 25MG/ML IPNS |