3GZG
Crystal structure of the Xanthomonas axonopodis pv. citri molybdate-binding protein (ModA) mutant (K127S)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.421 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.075, 171.648, 113.861 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.740 - 1.550 |
| R-factor | 0.20266 |
| Rwork | 0.202 |
| R-free | 0.23485 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h5y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.665 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.118 | 0.822 |
| Number of reflections | 94892 | |
| <I/σ(I)> | 13.7 | 2 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0,1M trihydrate sodium acetate, 0,2M ammonium sulfate, 30% PEG, monometil eter 2000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
