4S1I
Pyridoxal Kinase of Entamoeba histolytica with PLP
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 | 2014-11-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.953 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 78.173, 79.014, 90.697 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.19609 |
Rwork | 0.195 |
R-free | 0.22548 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s1m |
RMSD bond length | 0.022 |
RMSD bond angle | 2.163 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 74705 | |
<I/σ(I)> | 55.27 | 2.34 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 14.6 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 273 | 15%Peg4000, 0.1MTris pH 7.5, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 273K |