3GNN
Crystal structure of nicotinate-nucleotide pyrophosphorylase from Burkholderi pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Collection date | 2008-06-18 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.978, 57.414, 66.243 |
| Unit cell angles | 90.00, 106.74, 90.00 |
Refinement procedure
| Resolution | 39.140 - 2.250 |
| R-factor | 0.217 |
| Rwork | 0.214 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.791 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.068 | 0.589 |
| Number of reflections | 27262 | |
| <I/σ(I)> | 21.998 | 2.27 |
| Completeness [%] | 98.9 | 97.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | HAMPTON CRYSTAL SCREEN CONDITION E8, 1.5 M NACL, 10% ETHANOL WITH 25% GLYCEROL AS CRYO-PROTECTANT, 28.7 MG/ML PROTEIN, CRYSTAL ID 109334E8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |
