3VO0
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum covalent-bonded with 2-deoxy-2-fluoro-D-glucuronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2011-12-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 101.489, 101.489, 218.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.090 - 1.900 |
R-factor | 0.20757 |
Rwork | 0.206 |
R-free | 0.23959 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vny |
RMSD bond length | 0.014 |
RMSD bond angle | 1.389 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.5.0109) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.094 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.485 |
Number of reflections | 45161 | |
<I/σ(I)> | 35.5 | 9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 24.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0M sodium phosphate monobasic monohydrate/potassium phosphate dibasic (0.5/9.5 [v/v]), VAPOR DIFFUSION, SITTING DROP, temperature 293K |