5GTA
3D Crystal Structure of LsrB Bound to Furanosyl diester (R)-THMF, from Salmonella typhi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-03-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.582, 61.754, 115.753 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.134 - 2.998 |
R-factor | 0.1989 |
Rwork | 0.196 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tjy |
RMSD bond length | 0.002 |
RMSD bond angle | 0.552 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.880 | 3.050 |
High resolution limit [Å] | 2.998 | 3.000 |
Number of reflections | 6389 | |
<I/σ(I)> | 2.16 | 2.15 |
Completeness [%] | 99.0 | 98.2 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350 |