3A9S
X-ray Structure of Bacillus pallidus D-Arabinose Isomerase Complex with Glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-09 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 144.317, 127.271, 110.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.700 - 1.600 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fui |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.051 | 0.318 |
| Number of reflections | 267379 | |
| <I/σ(I)> | 17.9 | 4.3 |
| Completeness [%] | 97.1 | 92.9 |
| Redundancy | 6.3 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100mM citrate buffer pH 6.0, 20% (w/v) PEG 3000, 90mM potassium sodium tartrate. , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
