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 |