3NAV
Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.594, 60.380, 141.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.18201 |
| Rwork | 0.179 |
| R-free | 0.23304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xc4 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.668 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.091 | 0.380 |
| Number of reflections | 29864 | |
| <I/σ(I)> | 10 | 8.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2 M Ammonium flouride 20% Peg 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
