4WS3
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.100, 64.250, 85.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.730 - 1.400 |
| R-factor | 0.13522 |
| Rwork | 0.134 |
| R-free | 0.16216 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.584 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.730 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.112 | 0.753 |
| Number of reflections | 50776 | |
| <I/σ(I)> | 10.1 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | Sodium citrate tribasic dihydrate |
