2NYS
X-ray Crystal Structure of Protein AGR_C_3712 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR88.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97929, 0.97956, 0.96791 |
| Spacegroup name | I 4 |
| Unit cell lengths | 137.550, 137.550, 57.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.790 - 2.700 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.26800 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.051 | 0.560 |
| Number of reflections | 27602 | |
| <I/σ(I)> | 24.86 | 1.76 |
| Completeness [%] | 96.1 | 87.6 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 27% PEG 400, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
