2QTR
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
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 | 2006-02-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 49.337, 158.227, 164.088 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
Rwork | 0.219 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kaq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.429 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.054 | |
Number of reflections | 68050 | |
<I/σ(I)> | 35.7 | |
Completeness [%] | 95.8 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 295 | sodium chloride, ATP, nicotinc acid, MgCl2, lithium sulfate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |