3IL4
Structure of E. faecalis FabH in complex with acetyl CoA
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 | 66.751, 93.295, 104.254 |
| Unit cell angles | 90.00, 93.90, 90.00 |
Refinement procedure
| Resolution | 24.880 - 3.000 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3il9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| 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 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.096 | 0.229 |
| Number of reflections | 25403 | |
| <I/σ(I)> | 12.9 | 4.6 |
| Completeness [%] | 99.0 | 96.7 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 288 | 25% PEG 3350, 0.1 M HEPES, 0.125 M magnesium sulfate, and 1.5% DMSO, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
