1HM7
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 | 2000-04-04 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 181.400, 181.400, 56.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.2633 |
| Rwork | 0.263 |
| R-free | 0.30800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hm4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.083 | 0.404 |
| Total number of observations | 63768 * | |
| Number of reflections | 23110 | |
| <I/σ(I)> | 11.87 | 2.5 |
| Completeness [%] | 97.0 * | 95.8 |
| Redundancy | 2.76 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | (NH4)2SO4, ethanol, MgCl2, Hepes pH 7.0, farnesyl diphosphate, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2-7 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | pH7.0 |
| 3 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.2 |
