4E4P
Second native structure of Xylanase A1 from Paenibacillus sp. JDR-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.518, 58.528, 65.024 |
| Unit cell angles | 90.00, 108.81, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.920 |
| R-factor | 0.2555 |
| Rwork | 0.253 |
| R-free | 0.29460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.903 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.820 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.920 | 4.160 | 1.920 |
| Rmerge | 0.109 | 0.050 | |
| Number of reflections | 48561 | ||
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 99.9 | 98.9 | 100 |
| Redundancy | 7.4 | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294.5 | 200 mM MgCl2, 100mM HEPES sodium salt, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294.5K |
