1HB1
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-12-12 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.750, 71.121, 100.927 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.550 |
R-factor | 0.183 * |
Rwork | 0.184 |
R-free | 0.19800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qje |
RMSD bond length | 0.008 |
RMSD bond angle | 0.024 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.710 * | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.076 | 0.333 |
Total number of observations | 176037 * | |
Number of reflections | 44320 * | 5756 * |
<I/σ(I)> | 6.8 | 2.2 |
Completeness [%] | 89.8 | 81.6 |
Redundancy | 4 | 3.4 |
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) |