2FQ1
Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.889, 82.331, 164.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nf9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.245 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 | 0.341 |
| Number of reflections | 30038 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 96.3 | 80 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 10-15% mePEG5000, 0.8M MgCl2, 10% ethylene glycol, 50mM HEPPS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
