1LLF
Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.461, 58.477, 89.515 |
| Unit cell angles | 92.71, 97.48, 109.38 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.142 |
| Rwork | 0.136 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cle |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.030 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.087 | 0.178 |
| Total number of observations | 1424531 * | |
| Number of reflections | 206525 | |
| <I/σ(I)> | 14 | 7.8 |
| Completeness [%] | 90.2 | 88 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | PEG 3350, potassium phosphate, detergent Thesit, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG3350 | ||
| 2 | 1 | drop | phosphate | 50 (mM) | pH7.3 |
| 3 | 1 | reservoir | PEG | 21 (%) |
