4I42
E.coli. 1,4-dihydroxy-2-naphthoyl coenzyme A synthase (ecMenB) in complex with 1-hydroxy-2-naphthoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.646, 141.659, 288.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.872 - 1.848 |
| R-factor | 0.1544 |
| Rwork | 0.154 |
| R-free | 0.18190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4elx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 1.890 |
| High resolution limit [Å] | 1.848 | 1.850 |
| Number of reflections | 286348 | |
| Completeness [%] | 99.6 | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 200mM (NH4)2SO4, 23% PEG 3350, 100mM Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
