1RXF
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II)
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.100, 106.100, 71.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.119 |
| R-free | 0.14200 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | 0.296 |
| Total number of observations | 193504 * | |
| Number of reflections | 45516 | |
| <I/σ(I)> | 16.1 | 3.4 |
| Completeness [%] | 95.4 | 95 |
| Redundancy | 4.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ammonium sulfate | 1.75 (M) | |
| 2 | 1 | 1 | 2-oxoglutarate | 5 (mM) | |
| 3 | 1 | 1 | HEPES | 0.1 (M) |
