2IA4
Crystal structure of Novel amino acid binding protein from Shigella flexneri
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2005-06-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9500, 0.9794, 0.9799 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.350, 67.710, 79.980 |
| Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
| Resolution | 33.360 - 1.500 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.22600 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.066 | 0.286 |
| Number of reflections | 154166 | |
| <I/σ(I)> | 28.7 | 4 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 6.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | trimethylamine N-oxide dihydrate, Polyethylene Glycol, Monomethyl ether 2000, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
