4XQ4
X-ray structure analysis of xylanase - N44D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-08-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.940, 69.750, 78.281 |
| Unit cell angles | 90.00, 117.45, 90.00 |
Refinement procedure
| Resolution | 27.200 - 1.250 |
| R-factor | 0.143 |
| Rwork | 0.141 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dfb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.302 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 (3.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.200 | 1.290 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.421 | |
| Number of reflections | 114048 | |
| <I/σ(I)> | 4.7 | 1.8 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 22% PEG8000, 0.2 M NaI, 0.1 M NaOAc at pH 4.6 |
