4NEG
The crystal structure of tryptophan synthase subunit beta from Bacillus anthracis str. 'Ames Ancestor'
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97935, 0.97935, 0.97945 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 200.762, 49.037, 76.494 |
| Unit cell angles | 90.00, 99.35, 90.00 |
Refinement procedure
| Resolution | 44.885 - 2.201 |
| R-factor | 0.1772 |
| Rwork | 0.175 |
| R-free | 0.21720 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.033 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.623 |
| Number of reflections | 37647 | |
| <I/σ(I)> | 15.8 | 2.03 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.8 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Li2SO4, 0.1M Tris, 25%(w/v) PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
