5REQ
Methylmalonyl-COA MUTASE, Y89F Mutant, substrate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.200, 161.890, 88.700 |
| Unit cell angles | 90.00, 104.88, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.256 |
| Rwork | 0.246 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1req |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.033 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.270 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.050 | 0.261 |
| Number of reflections | 170993 | |
| <I/σ(I)> | 15.1 | 5.1 |
| Completeness [%] | 98.0 | 87.2 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 23 * | pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | AdoCbl | 0.100 (mM) | |
| 3 | 1 | drop | succinylcarbadethia-CoA | 4 (mM) | |
| 4 | 1 | drop | PEG4000 | 14 (%(w/v)) | |
| 5 | 1 | drop | glycerol | 20 (%(v/v)) | |
| 6 | 1 | drop | Tris-HCl | 100 (mM) | |
| 7 | 1 | reservoir | PEG4000 | 14 (%(w/v)) | |
| 8 | 1 | reservoir | glycerol | 20 (%(v/v)) | |
| 9 | 1 | reservoir | Tris-HCl | 100 (mM) |
