3H9A
Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in triclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.252, 47.198, 62.906 |
| Unit cell angles | 89.05, 77.27, 82.28 |
Refinement procedure
| Resolution | 30.340 - 2.040 |
| R-factor | 0.20851 |
| Rwork | 0.206 |
| R-free | 0.26192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h7y |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.960 |
| 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] | 30.670 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.067 | 0.243 |
| Total number of observations | 66535 | |
| Number of reflections | 30450 | |
| <I/σ(I)> | 8.5 | 2.8 |
| Completeness [%] | 91.4 | 73.8 |
| Redundancy | 2.2 | 2.1 |
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 |
