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 |