2J4K
Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UMP to 2.2 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-30 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.802, 136.043, 77.938 |
Unit cell angles | 90.00, 113.17, 90.00 |
Refinement procedure
Resolution | 21.670 - 2.200 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.25100 |
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 | 0.006 |
RMSD bond angle | 1.200 |
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] | 22.540 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.650 |
Number of reflections | 72006 | |
<I/σ(I)> | 12 | 2.3 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | PROTEIN SOLUTION (2UL) IN 10 MM TRIS/CL PH 7.6 WITH 4.6 MG/ML SSUMPK AND 2 MM UMP AND 5 MM MGCL2 MIXED WITH 2 UL MOTHER SOLUTION. MOTHER SOLUTION: 0.65 M SODIUM ACETATE, 100 MM CDCL2, 0.1 M HEPES, PH 7.5. HANGING DROP VAPOR DIFFUSION TECHNIQUE |