1VK8
CRYSTAL STRUCTURE OF A PUTATIVE THIAMINE BIOSYNTHESIS/SALVAGE PROTEIN (TM0486) FROM THERMOTOGA MARITIMA AT 1.80 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-13 |
| Detector | ADSC |
| Wavelength(s) | 1.0332, 0.9796 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.646, 47.650, 49.608 |
| Unit cell angles | 73.80, 62.90, 73.62 |
Refinement procedure
| Resolution | 41.710 - 1.800 |
| R-factor | 0.14404 |
| Rwork | 0.142 |
| R-free | 0.18956 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.443 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (4.2)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.710 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 25897 | |
| <I/σ(I)> | 10.2 | 3.7 |
| Completeness [%] | 76.1 | 23.9 |
| Redundancy | 1.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 9.6 | 277 | 20% PEG-8000, 0.1M CHES pH 9.5, pH 9.6, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K. cryo condition: 12% PEG 200. |
