1O3U
Crystal structure of an hepn domain protein (tm0613) from thermotoga maritima at 1.75 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-11 |
| Detector | ADSC |
| Wavelength(s) | 0.97910, 0.97930, 0.91840 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.922, 57.922, 63.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.900 - 1.750 |
| R-factor | 0.185 |
| Rwork | 0.179 |
| R-free | 0.23700 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.260 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.030 * | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.076 * | 0.417 * |
| Total number of observations | 55732 * | |
| Number of reflections | 10976 * | |
| <I/σ(I)> | 16.5 | 2.2 |
| Completeness [%] | 95.6 | 72.3 |
| Redundancy | 5.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.9 * | 293 | 10% PEG 8000; Imidazole pH 8.0; 0.2 M Ca(Ac)2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 8.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 20 (mM) | pH7.9 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | TCEP | 0.25 (mM) | |
| 4 | 1 | reservoir | PEG8000 | 10 (%(w/v)) | |
| 5 | 1 | reservoir | calcium acetate | 200 (mM) | |
| 6 | 1 | reservoir | imidazole | 100 (mM) | pH8.0 |
