2CBT
Crystal structure of the neocarzinostatin 4Tes1 mutant bound testosterone hemisuccinate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 52.510, 52.510, 128.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.218 |
| R-free | 0.34400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nco |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.508 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 9943 | |
| <I/σ(I)> | 18.3 | 2.9 |
| Completeness [%] | 98.9 | 99.9 |
| Redundancy | 11 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.9 M SODIUM CITRATE, 0.1 M HEPES PH 7.5 AND 3% ETHANOL |
