3UAM
Crystal structure of a chitin binding domain from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-11 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.920, 74.780, 74.770 |
| Unit cell angles | 120.04, 98.04, 102.98 |
Refinement procedure
| Resolution | 45.013 - 2.000 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21100 |
| Structure solution method | MR, MR |
| Starting model (for MR) | 2bem |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.367 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.013 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.118 | 0.437 |
| Number of reflections | 82444 | |
| <I/σ(I)> | 14.42 | 3.9 |
| Completeness [%] | 98.2 | 93.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.77 | 290 | Internal tracking number 225965. PACT optimization screen F5 well F8. 0.1M Bis Tris propane pH 6.77, 200mM sodium nitrate, 20.54% w/v PEG3500, 20% Ethylene Glycol Cryo. BupsA.17478.a.A1 PW31202 21mg/ml, vapor diffusion, sitting drop, temperature 290K |
