1BS9
ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 1995-02 |
| Detector | PRINCETON 2K |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.886, 60.983, 72.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 1.100 |
| R-factor | 0.1279 |
| R-free | 0.18160 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 25.978 * |
| Data reduction software | DENZO |
| Phasing software | SHELX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.059 | 0.370 |
| Total number of observations | 149250 * | |
| Number of reflections | 44040 | |
| <I/σ(I)> | 32 | 4 |
| Completeness [%] | 69.3 | 44.9 * |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.3 * | 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) |
