2CBM
Crystal structure of the apo-form of a neocarzinostatin mutant evolved to bind testosterone.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 60.125, 60.125, 97.004 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.030 |
| R-factor | 0.2182 |
| Rwork | 0.218 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nco |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.223 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.090 | 0.300 |
| Number of reflections | 7137 | |
| <I/σ(I)> | 26 | 8.4 |
| Completeness [%] | 98.9 | 89.5 |
| Redundancy | 9.38 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.8 M (NH4)2SO4; 0.1 M MES PH 6.5 |
