4DHD
Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum calidifontis
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 | 2011-11-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.401, 89.269, 149.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| R-factor | 0.18162 |
| Rwork | 0.181 |
| R-free | 0.21252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wy0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.360 | |
| Number of reflections | 49409 | |
| <I/σ(I)> | 9.9 | 3.8 |
| Completeness [%] | 93.8 | 100 |
| Redundancy | 7.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1M BIS-TRIS, 25% PEG3350, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294 |
