1IDT
STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 97 |
| Detector technology | CCD |
| Collection date | 2000-11-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.976262 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.556, 57.556, 266.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.2294 |
| Rwork | 0.225 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ds7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.162 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.201 |
| Number of reflections | 28476 | |
| <I/σ(I)> | 29.76 | |
| Completeness [%] | 90.3 | 98.7 |
| Redundancy | 13.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 277 | PEG 4000, sodium acetate , pH 4.6, VAPOR DIFFUSION, temperature 277K |
