2QHA
From Structure to Function: Insights into the Catalytic Substrate Specificity and Thermostability Displayed by Bacillus subtilis mannanase BCman
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.179, 58.785, 63.463 |
| Unit cell angles | 83.03, 82.42, 77.61 |
Refinement procedure
| Resolution | 8.000 - 1.450 |
| R-factor | 0.15984 |
| Rwork | 0.158 |
| R-free | 0.18993 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.130 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | DM |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.034 | 0.182 |
| Number of reflections | 95614 | |
| <I/σ(I)> | 51.9 | 11.3 |
| Completeness [%] | 90.8 | 80.1 |
| Redundancy | 5.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.12 | 290 | 7.5% PEG4000, 80mM sodium chloride, 100mM sodium citrate (pH5.12), VAPOR DIFFUSION, HANGING DROP, temperature 290K |
