2CBO
Crystal structure of the neocarzinostatin 3Tes24 mutant bound to testosterone hemisuccinate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 |
| Unit cell lengths | 43.984, 43.984, 54.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.510 - 1.700 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nco |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 10933 | |
| <I/σ(I)> | 10.3 | 1.6 |
| Completeness [%] | 94.9 | 91.7 |
| Redundancy | 1.97 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.6-1.7M (NH4)2SO4, 0.1 M SODIUM CITRATE PH 6.0 |
