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 |