1HXC
CRYSTAL STRUCTURE OF TEAS C440W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-02-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.125, 126.125, 120.339 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.278 |
| Rwork | 0.278 |
| R-free | 0.29600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.100 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.900 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.240 |
| Number of reflections | 44489 | |
| <I/σ(I)> | 12.1 | 1.7 |
| Completeness [%] | 94.0 | 72.7 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO, 1MM DTT, 1.0 MM 1-HYDROXYFARNESYL PHOSPHONATE , pH 6.9 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
