5NZM
Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with murrayamine-I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 |
Unit cell lengths | 95.110, 95.110, 72.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.359 - 2.350 |
R-factor | 0.2021 |
Rwork | 0.201 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oef |
RMSD bond length | 0.003 |
RMSD bond angle | 0.663 |
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] | 50.000 | 2.450 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 27167 | 3182 |
<I/σ(I)> | 15.98 | 2.38 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 12.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 2.25 M ammonium sulfate, 100 mM Tris-HCl pH 7.2, 0.1% Tween 80 |