5NZG
Crystal structure of UDP-glucose pyrophosphorylase S374W mutant from Leishmania major in complex with UDP-glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.500, 89.800, 137.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.973 - 1.600 |
R-factor | 0.2206 |
Rwork | 0.219 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2m2a |
RMSD bond length | 0.002 |
RMSD bond angle | 0.446 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | AMoRE |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.820 | |
High resolution limit [Å] | 1.500 | |
Number of reflections | 78616 | |
<I/σ(I)> | 23.25 | 2.88 |
Completeness [%] | 99.6 | 98 |
Redundancy | 13.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 24% PEG 3350, 100 mM Bis-Tris pH 6.8, 0.2 M Li2SO4, 2 mM DTT |