4AEI
Crystal structure of the AaHII-Fab4C1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-23 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 123.940, 38.740, 154.070 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 12.970 - 2.300 |
| R-factor | 0.20135 |
| Rwork | 0.199 |
| R-free | 0.25403 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ptx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.365 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 65949 | |
| <I/σ(I)> | 10.8 | 3.45 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 15% PEG 2000 MME, 0.1 M HEPES PH 8.0, 0.1 M NACL |
