8C5F
E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate
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 | 2010-07-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.193, 57.193, 262.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.890 - 1.600 |
| R-factor | 0.1451 |
| Rwork | 0.144 |
| R-free | 0.17050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.518 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.890 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 57801 | 37708 |
| <I/σ(I)> | 27.21 | |
| Completeness [%] | 98.6 | 92.3 |
| Redundancy | 5.9 | 4.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 10-18% PEG 4,000, 50-200 mM sodium acetate buffer, 15% ethyelene glycol |
