3H7Y
Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in tetragonal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.661, 68.661, 211.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.330 - 2.220 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.25955 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.026 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.250 | 2.330 |
| High resolution limit [Å] | 2.220 | 2.210 |
| Rmerge | 0.102 | 0.381 |
| Total number of observations | 573250 | |
| Number of reflections | 25906 | |
| <I/σ(I)> | 31.3 | 10.1 |
| Completeness [%] | 99.6 | 87 |
| Redundancy | 22.1 | 23.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.8 | 288 | 0.1M Tris, 10% PEG 8000, 60% MPD, 0.2M NaCl, pH 6.8, Micro batch, temperature 288K |
