4WRV
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.450, 59.920, 73.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.830 - 1.440 |
R-factor | 0.12214 |
Rwork | 0.121 |
R-free | 0.14020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a7n |
RMSD bond length | 0.009 |
RMSD bond angle | 1.493 |
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] | 32.830 | 1.520 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.110 | 1.034 |
Number of reflections | 37819 | |
<I/σ(I)> | 10.8 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 293 | Sodium acetate trihydrate, Sodium cacodylate trihydrate, PEG 8000, Jeffamine M-600 |