2HL6
Structure of homologously expressed Ferrulate esterase of Aspergillus niger in complex with CAPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-03-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.520, 51.700, 99.588 |
| Unit cell angles | 90.00, 127.98, 90.00 |
Refinement procedure
| Resolution | 39.210 - 1.550 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.210 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.071 | 0.347 |
| Total number of observations | 30033 | |
| Number of reflections | 81359 | |
| <I/σ(I)> | 6.2 | 2.1 |
| Completeness [%] | 48.1 | 46.3 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10 | 298 | 2.05M Ammoniumsulfate, 0.09M CAPS, 10% Ethyleneglycol , pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
