1BK0
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX)
Experimental procedure
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1995-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.800, 71.500, 101.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.500 - 1.300 |
R-factor | 0.1725 * |
Rwork | 0.172 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ips |
RMSD bond length | 0.008 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.055 | 0.318 |
Total number of observations | 267069 * | |
Number of reflections | 80233 | 7714 * |
<I/σ(I)> | 25.9 | 4.1 |
Completeness [%] | 95.4 | 93.2 |
Redundancy | 3.21 | 3.04 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 17 * | Roach, P.L., (1996) Eur. J. Biochem., 242, 736. * |
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) |