1IPS
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID2 |
| Synchrotron site | ESRF |
| Beamline | ID2 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-09 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.200, 127.000, 139.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.26500 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 24.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.500 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.125 | 0.379 |
| Total number of observations | 136252 * | |
| Number of reflections | 36775 | |
| <I/σ(I)> | 17.6 | 6.8 |
| Completeness [%] | 98.6 | 96.7 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 18 * | used to seeding, Roach, P.L., (1995) Protein Sci., 4, 1007. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG8000 | 24 (%) | |
| 2 | 1 | drop | 5 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 100 (mM) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 16 (%) |
