2C89
Structure of the wild-type C3bot1 Exoenzyme (Free state, crystal form I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.456, 74.820, 120.442 |
| Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
| Resolution | 45.180 - 1.850 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gzf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.004 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.180 |
| High resolution limit [Å] | 1.850 |
| Rmerge | 0.030 |
| Number of reflections | 77456 |
| <I/σ(I)> | 20.8 |
| Completeness [%] | 98.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 22.5% PEG 3350 W/W, 100 MM LI2SO4, 100 MM SODIUM CITRATE PH 3.0, 3-10% MPEG 550 V/V |
