2J4L
Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UTP to 2.8 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-30 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 224.750, 79.030, 223.470 |
Unit cell angles | 90.00, 96.56, 90.00 |
Refinement procedure
Resolution | 29.630 - 2.800 |
R-factor | 0.246 |
Rwork | 0.246 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | URIDYLATE KINASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH UMP AND AMPPCP - HEXAMER - WITHOUT LIGANDS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.520 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 92163 | |
<I/σ(I)> | 12.7 | 1.9 |
Completeness [%] | 94.5 | 85.9 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | PROTEIN SOLUTION (2UL) IN 10 MM TRIS/CL PH 7.6 WITH 4.6 MG/ML SSUMPK, 2 MM UTP, 5 MM MGCL2 MIXED WITH 2UL MOTHER SOLUTION. MOTHER SOLUTION: 1.8 M SODIUM FORMATE, 0.1 M SODIUM ACETATE PH 4.8. HANGIGN DROP VAPOR DIFFUSION |