2CIC
THE CRYSTAL STRUCTURE OF A COMPLEX OF CAMPYLOBACTER JEJUNI DUTPASE WITH SUBSTRATE ANALOGUE DUPNHPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Collection date | 2004-07-21 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 93.397, 93.397, 143.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.162 |
| Rwork | 0.159 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w2y |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.928 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.300 |
| Number of reflections | 33092 | |
| <I/σ(I)> | 37.1 | 3.3 |
| Completeness [%] | 97.8 | 90.8 |
| Redundancy | 8.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 M SODIUM FORMATE PH 7.0, 20 MM MAGNESIUM ACETATE |
