4GP2
Crystal structure of ISOPRENOID SYNTHASE A3MSH1 (TARGET EFI-501992) from pyrobaculum calidifontis complexed with DMAPP and Magnesium
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 | 2012-07-19 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.991, 93.559, 146.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 2.000 |
| R-factor | 0.17214 |
| Rwork | 0.171 |
| R-free | 0.20696 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dhd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.272 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.570 | |
| Number of reflections | 51196 | |
| <I/σ(I)> | 9.6 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | 0.2M SODIUM THIOCYANATE, PH 6.9, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
