1HM4
N219L PENTALENENE SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-07 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 182.000, 182.000, 56.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.470 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.29860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ps1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.251 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.590 |
| High resolution limit [Å] | 3.470 | 3.470 |
| Rmerge | 0.160 | 0.385 |
| Number of reflections | 12861 | |
| <I/σ(I)> | 8.9 | 3.9 |
| Completeness [%] | 91.4 | 96.8 |
| Redundancy | 3.64 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | (NH4)2SO4, ethanol, MgCl2, Hepes pH 7.0, farnesyl diphosphate, VAPOR DIFFUSION, HANGING DROP at 277K |
