3NQR
A putative CBS domain-containing protein from Salmonella typhimurium LT2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.123, 54.122, 92.119 |
| Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.19351 |
| Rwork | 0.190 |
| R-free | 0.25833 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.480 |
| Number of reflections | 34373 | |
| <I/σ(I)> | 18.72 | 2.08 |
| Completeness [%] | 99.4 | 97.7 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1 M MES, 25% w/v PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
