2QIR
Crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A and kanamycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2007-05-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.404, 57.404, 145.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.080 - 2.400 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.349 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.402 | 72.790 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.081 | 0.056 | 0.212 |
Total number of observations | 4270 | 16407 | |
Number of reflections | 10187 | ||
<I/σ(I)> | 8.3 | 10.8 | 3.4 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 13.4 | 10.6 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | K2HPO4 1.5 M, NaH2PO4 0.06M, Guanidine 0.1M, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |