8C5E
E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.610, 57.610, 264.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.500 - 1.650 |
| R-factor | 0.17798 |
| Rwork | 0.176 |
| R-free | 0.21666 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.240 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 53617 | 6747 |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 97.7 | 86.8 |
| Redundancy | 5.42 | 2.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | PEG 4000, 50-200 mM sodium acetate buffer, 15 mM nicotinic acid, 15% ethylene glycol |
