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 |