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 |