5LDK
Crystal structure of E.coli LigT complexed with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.04 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.950, 73.330, 77.490 |
Unit cell angles | 90.00, 128.54, 90.00 |
Refinement procedure
Resolution | 23.370 - 2.099 |
R-factor | 0.2054 |
Rwork | 0.202 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBid: 5ldi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.148 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.150 |
High resolution limit [Å] | 2.099 | 2.100 |
Rmerge | 0.075 | 0.829 |
Number of reflections | 26124 | |
<I/σ(I)> | 14.16 | 1.65 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 3.81 | 3.78 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Tris-HCl pH 7.5, 0.2 M MgCl2, 18% (w/v) PEG 8000 |