1UPL
Crystal structure of MO25 alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-15 |
| Detector | ADSC Q4 CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.625, 94.012, 96.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.27900 * |
| Structure solution method | MAD |
| Starting model (for MR) | 1upk |
| RMSD bond length | 0.019 * |
| RMSD bond angle | 1.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.118 | 0.522 |
| Total number of observations | 106613 * | |
| Number of reflections | 20073 | |
| <I/σ(I)> | 16.3 | 2.7 |
| Completeness [%] | 98.6 | 90.6 |
| Redundancy | 5.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 15 % PEG 20000, 0.1 M MES PH 6.5, 4.4 % GAMMA BUTYROLACTONE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14.5 (mg/ml) | |
| 2 | 1 | reservoir | PEG20000 | 15 (%(w/v)) | |
| 3 | 1 | reservoir | MES | 0.1 (%) | pH6.5 |
| 4 | 1 | reservoir | gamma-butyrolactone | 40 (%(v/v)) |
