1G66
ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 85 |
| Detector technology | CCD |
| Collection date | 1995-12-15 |
| Detector | PRINCETON 2K |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.541, 59.898, 71.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 0.900 |
| R-factor | 0.103 * |
| Rwork | 0.107 |
| R-free | 0.13200 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.016 |
| RMSD bond angle | 25.230 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 0.940 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.058 | 0.185 |
| Total number of observations | 420882 * | |
| Number of reflections | 95283 | |
| <I/σ(I)> | 29.2 | |
| Completeness [%] | 86.6 | 40.4 |
| Redundancy | 4.41 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.3 | 298 | Pangborn, W., (1996) Proteons Struct.Funct.Genet., 24, 523. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | citrate | 50 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 13 (%sat) | |
| 4 | 1 | reservoir | ammonium sulfate | 33-37 (%sat) | |
| 5 | 1 | reservoir | citrate | 50 (mM) |
