4TX6
AfChiA1 in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 76.398, 128.514, 212.102 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.980 - 1.900 |
| R-factor | 0.15589 |
| Rwork | 0.154 |
| R-free | 0.18385 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xvp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.578 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.980 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.056 | 0.415 |
| Number of reflections | 81562 | |
| <I/σ(I)> | 16.1 | 3.3 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.14 | 0.42-0.58 M NaH2PO4, 0.74-0.83 M K2HPO4 |
