2JJX
THE CRYSTAL STRUCTURE OF UMP KINASE FROM BACILLUS ANTHRACIS (BA1797)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-27 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 87.300, 87.300, 383.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.820 |
Rwork | 0.200 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z9d |
RMSD bond length | 0.008 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.930 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.100 | 0.770 |
Number of reflections | 21872 | |
<I/σ(I)> | 12.6 | 1.6 |
Completeness [%] | 98.5 | 98.8 |
Redundancy | 8.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.2 M LITHIUM SULPHATE, 10% POLYETHYLENE GLYCOL 3000, 0.1 M IMIDAZOLE (PH 8.0) |