4S1M
Crystal Structure of Pyridoxal Kinase from Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-07-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.131, 91.111, 76.777 |
Unit cell angles | 90.00, 99.64, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.640 |
R-factor | 0.17474 |
Rwork | 0.174 |
R-free | 0.19756 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Crystal structure of pyridoxal kinase from Trypanosoma brucei |
RMSD bond length | 0.018 |
RMSD bond angle | 1.769 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 71764 | |
<I/σ(I)> | 33.7 | 1.98 |
Completeness [%] | 99.1 | 90.8 |
Redundancy | 4.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 273 | 15%Peg4000, 0.1M Tris pH7.5, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 273K |