4IIV
Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 65 |
| Unit cell lengths | 127.477, 127.477, 122.951 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.760 - 2.500 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3osu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.088 | 0.823 |
| Number of reflections | 39057 | |
| <I/σ(I)> | 30.3 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289 | 0.2 M sodium bromide, 0.1 M Bis-Tris propane, pH 8.5, 27.5% w/v PEG3350, VAPOR DIFFUSION, temperature 289K |
