3HN6
Crystal structure of glucosamine-6-phosphate deaminase from Borrelia burgdorferi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.900, 82.790, 126.990 |
Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ne7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.378 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.054 | 0.016 | 0.245 |
Number of reflections | 85968 | 905 | 5606 |
<I/σ(I)> | 20.75 | 65.8 | 5.6 |
Completeness [%] | 96.1 | 84.1 | 85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 289 | JCSG+ sparse matrix screen condition B12, 20% PEG 3350, 0.2 M Potassium phosphate pH 8.3, 27.2 mg/mL protein, 0.1 mg/mL Chymotrypsin, crystal tracking ID 203097b12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |