3BGO
Azide complex of Engineered Subtilisin SUBT_BACAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.290, 72.840, 95.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.26200 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.709 |
| Data reduction software | d*TREK (9.4SSI) |
| Data scaling software | d*TREK (9.4SSI) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.870 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.034 | 0.152 |
| Total number of observations | 12275 | |
| Number of reflections | 29142 | |
| <I/σ(I)> | 26.6 | 7 |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 5.59 | 4.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | l8% PEG 8K, 0.2 M ZnAc, 0.1 M Na Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
