2XLC
Acetyl xylan esterase from Bacillus pumilus CECT5072 bound to paraoxon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.049, 116.052, 100.248 |
| Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.21731 |
| Rwork | 0.216 |
| R-free | 0.23608 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ods |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.635 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.420 |
| Number of reflections | 46958 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2 M NH4 ACETATE, 0.1 M BIS-TRIS PH 5.5, 45% 2-METHYL-2,4-PENTANEDIOL (MPD) |
