5LDQ
Crystal structure of E.coli LigT complexed with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.740, 91.620, 120.610 |
Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
Resolution | 117.835 - 1.700 |
R-factor | 0.1839 |
Rwork | 0.183 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBid:5ldi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.321 |
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] | 120.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 1.043 |
Number of reflections | 100969 | |
<I/σ(I)> | 13.92 | 1.23 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.8 | 3.86 |
CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.1 M Tris-HCl pH 7.4, 0.2 M MgCl2, 20% (w/v) PEG 8000 |