2CJE
THE CRYSTAL STRUCTURE OF A COMPLEX OF Leishmania major DUTPASE WITH SUBSTRATE ANALOGUE DUPNHP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 87.866, 87.866, 146.531 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.030 - 2.340 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ogk |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.497 |
| 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 | 2.420 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 14713 | |
| <I/σ(I)> | 28 | 3.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 30% PEG 3350 MME, 0.2 M MGCL2, 0.1M BIS-TRIS PH 5.5 |
