3DV2
Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.073, 100.586, 73.068 |
Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
Resolution | 25.150 - 2.300 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kam |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.150 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.059 | 0.285 |
Number of reflections | 37472 | |
<I/σ(I)> | 10.5 | 3.2 |
Completeness [%] | 97.5 | 88.9 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2.1M ammonium sulfate, 0.1M HEPES, 2% PEG400, 10mM magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |