4GYK
Crystal structure of mutant (D318N) bacillus subtilis family 3 glycoside hydrolase (nagz) in complex with glcnac-murnac (space group P1211)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.978, 132.154, 73.688 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 43.470 - 1.800 |
| R-factor | 0.1742 |
| Rwork | 0.171 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gyj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.190 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.112 | 0.513 |
| Number of reflections | 90597 | |
| <I/σ(I)> | 6.6 | 1.9 |
| Completeness [%] | 95.1 | 92.5 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 22% PEG3350, 0.2 M Potassium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
