5K9Y
Crystal structure of a thermophilic xylanase A from Bacillus subtilis 1A1 quadruple mutant Q7H/G13R/S22P/S179C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.5497 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.178, 52.002, 72.474 |
| Unit cell angles | 90.00, 91.28, 90.00 |
Refinement procedure
| Resolution | 20.330 - 2.200 |
| R-factor | 0.1871 |
| Rwork | 0.184 |
| R-free | 0.24850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xxn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.031 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.247 | 42.247 | 2.320 |
| High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
| Rmerge | 0.081 | 0.197 | |
| Number of reflections | 16886 | ||
| <I/σ(I)> | 9.1 | 3.9 | 3.5 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 3.6 | 3.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.1 M HEPES and 0.6 M sodium tartrate |
