3RRI
Crystal structure of glyoxalase/bleomycin resistance protein/dioxygenase from Alicyclobacillus acidocaldarius
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97932 |
Spacegroup name | I 4 |
Unit cell lengths | 104.728, 104.728, 49.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.13563 |
Rwork | 0.135 |
R-free | 0.15911 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | different crystal form of the same protein that was solved by SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.470 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.093 | 0.827 |
Number of reflections | 43267 | |
<I/σ(I)> | 32 | 2.5 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 10 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M Bis/Tris propane:NaOH, 2.8 M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |