5NOF
Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 42.605, 81.389, 179.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.190 - 2.420 |
R-factor | 0.19758 |
Rwork | 0.195 |
R-free | 0.25451 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5noe |
RMSD bond length | 0.010 |
RMSD bond angle | 1.413 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0157) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.190 | 2.500 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.152 | 1.320 |
Number of reflections | 24674 | |
<I/σ(I)> | 9.6 | 1.4 |
Completeness [%] | 99.8 | 99 |
Redundancy | 7 | 7.2 |
CC(1/2) | 0.997 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.2 M sodium nitrate, 0.1 M Bis-Tris propane buffer (pH 8.5), 20% (w/v) PEG 3350 |