4GP1
Crystal structure of ISOPRENOID SYNTHASE A3MSH1 (TARGET EFI-501992) from pyrobaculum calidifontis complexed with DMAPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.598, 89.393, 148.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.740 - 1.940 |
| R-factor | 0.17352 |
| Rwork | 0.172 |
| R-free | 0.21482 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dhd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.208 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.370 | |
| Number of reflections | 30255 | |
| <I/σ(I)> | 9.3 | 3.3 |
| Completeness [%] | 98.3 | 99.5 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M SODIUM ACETATE, PH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
