3FVT
Crystal Structure of Acetyl Xylan Esterase from Bacillus pumilus, monoclinic crystal form II
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 | 2002-10-31 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.278 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 144.039, 87.205, 184.825 |
Unit cell angles | 90.00, 112.87, 90.00 |
Refinement procedure
Resolution | 29.740 - 1.900 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ods |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
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] | 29.750 | 1.910 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.085 | 0.366 |
Number of reflections | 298796 | |
<I/σ(I)> | 2 | |
Completeness [%] | 89.9 | 80.7 |
Redundancy | 3.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6 | 293 | 0.5M lithium chloride, 5% PEG 6000, 0.1M MES, pH 6.0, microbatch, temperature 293K |