3H7J
Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in monoclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.990, 118.493, 46.926 |
| Unit cell angles | 90.00, 97.92, 90.00 |
Refinement procedure
| Resolution | 26.210 - 1.870 |
| R-factor | 0.18455 |
| Rwork | 0.185 |
| R-free | 0.22749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h7y |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.205 |
| 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] | 118.680 | 1.913 |
| High resolution limit [Å] | 1.870 | 1.865 |
| Rmerge | 0.067 | 0.598 |
| Total number of observations | 226869 | |
| Number of reflections | 39949 | |
| <I/σ(I)> | 15.3 | 2.7 |
| Completeness [%] | 95.5 | 85.36 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.8 | 288 | 0.1M Tris, 10% PEG 8000, 45% MPD, 0.2M NaCl, pH 6.8, Micro batch, temperature 288K |
