8EBG
Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.631, 76.517, 79.076 |
| Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
| Resolution | 28.850 - 1.430 |
| R-factor | 0.1428 |
| Rwork | 0.141 |
| R-free | 0.17040 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.971 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.058 | 0.494 |
| Rmeas | 0.066 | |
| Rpim | 0.032 | |
| Number of reflections | 116192 | 4188 |
| <I/σ(I)> | 28.9 | 2 |
| Completeness [%] | 95.4 | 69.1 |
| Redundancy | 4.1 | 2.6 |
| CC(1/2) | 0.991 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 0.17 M Ammonium acetate, 0.085 M sodium citrate pH 5.6, 25.5 % (w/v) PEG4000, 15 % glycerol |
