3G7K
Crystal Structure of Methylitaconate-delta-isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0707 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.078, 142.077, 228.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.20267 |
| Rwork | 0.200 |
| R-free | 0.25559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pw0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.485 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.086 | 0.434 |
| Number of reflections | 47521 | |
| <I/σ(I)> | 20.6 | 2.6 |
| Completeness [%] | 98.0 | 95.4 |
| Redundancy | 4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Protein solution: 150mM Tris/HCl, 150mM NaCl; Reservoir solution: 23% PEG 1500, 18% glycerol anhydrous. 0.001ml protein plus 0.001ml reservoir, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
