1O65
Crystal structure of an hypothetical protein
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9795 , 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.116, 97.878, 98.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.330 |
| Rwork | 0.231 |
| R-free | 0.30800 |
| Structure solution method | Se-Met MAD phasing |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA) |
| Refinement software | REFMAC (4.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.330 * | 2.330 |
| Rmerge | 0.057 | 0.123 |
| Number of reflections | 30106 | |
| <I/σ(I)> | 23.3 | 13.7 |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 7.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 277 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | protein | 16mg/ml | |
| 2 | 1 | 2 | NaCl | 150mM | |
| 3 | 1 | 2 | Hepes | 10mM | |
| 4 | 1 | 2 | beta-mercaptoethanol | 1mM | |
| 5 | 1 | 2 | methionine | 10mM |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | methionine | 10 (mM) | |
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | drop | protein | 10 (mg/ml) |
