8CJ0
E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.310, 57.310, 265.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.060 - 1.990 |
| R-factor | 0.16283 |
| Rwork | 0.161 |
| R-free | 0.19869 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.275 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PDB-REDO |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.060 | 2.046 |
| High resolution limit [Å] | 1.990 | 1.994 |
| Number of reflections | 31129 | 2176 |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 98.9 | 95.4 |
| Redundancy | 9 | 8.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 12% PEG 4000, 100 mM Na Acetate, 20 mM Nicotinic acid, 15% Ethylene glycol |
