3FVR
Crystal Structure of Acetyl Xylan Esterase from Bacillus pumilus, monoclinic crystal form I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.485, 167.686, 144.961 |
| Unit cell angles | 90.00, 91.35, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.500 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ods |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 | 2.510 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.079 | 0.244 |
| Number of reflections | 135665 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 94.2 | 93.4 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 293 | 0.2M lithium chloride, 5% PEG 6000, 0.1M MES, pH 6.0, microbatch, temperature 293K |
