4WS4
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I
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 1 21 1 |
| Unit cell lengths | 39.024, 64.117, 45.131 |
| Unit cell angles | 90.00, 112.46, 90.00 |
Refinement procedure
| Resolution | 32.070 - 1.180 |
| R-factor | 0.13093 |
| Rwork | 0.129 |
| R-free | 0.16407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.760 |
| 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] | 32.070 | 1.240 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.101 | 0.481 |
| Number of reflections | 67385 | |
| <I/σ(I)> | 7.9 | 2.4 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 293 | Sodium citrate tribasic dihydrate |
