3CXM
Leishmania naiffi uracil-DNA glycosylase in complex with 5-bromouracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91724 |
| Spacegroup name | P 61 |
| Unit cell lengths | 75.320, 75.320, 105.703 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.660 - 1.500 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.16000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eui |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.623 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.045 | 0.620 |
| Number of reflections | 52821 | |
| <I/σ(I)> | 14.3 | 1.5 |
| Completeness [%] | 97.2 | 79.9 |
| Redundancy | 10.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 1.3 M Potassium phosphate dibasic, 0.1 M Sodium acetate pH 4.5, 5 mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
