1XZ0
Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2003-11-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.961, 43.235, 209.944 |
| Unit cell angles | 90.00, 91.04, 90.00 |
Refinement procedure
| Resolution | 38.630 - 2.800 |
| R-factor | 0.21992 |
| Rwork | 0.217 |
| R-free | 0.27712 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1onq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.478 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 23923 | |
| <I/σ(I)> | 14.6 | 2.2 |
| Completeness [%] | 94.3 | 85.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG 2000 MME, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
