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 |