4IXO
X-ray structure of NifS-like protein from Rickettsia africae ESF-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.020, 91.020, 72.620 |
| Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
| Resolution | 48.290 - 2.200 |
| R-factor | 0.1644 |
| Rwork | 0.162 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p3w |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.118 | 0.499 |
| Number of reflections | 37634 | |
| <I/σ(I)> | 12.4 | 3.05 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 | 4.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Microlytics MCSG1 screen a12: 200mM CaCl2, 20% PEG 4000, 100mM Tris, RiafA.00081.a.B1.PW36482 at 20mg/ml , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
