3IL5
Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.586, 84.973, 114.390 |
| Unit cell angles | 90.00, 98.50, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| Rwork | 0.189 |
| R-free | 0.25970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3il9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.120 | 0.338 |
| Number of reflections | 38358 | |
| <I/σ(I)> | 11.3 | 3.1 |
| Completeness [%] | 98.6 | 97.3 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 0.2 M lithium sulfate, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
