2VBT
Riboflavin kinase Mj0056 from Methanocaldococcus jannaschii in complex with CDP and PO4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.720, 77.720, 106.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vbs |
RMSD bond length | 0.014 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.320 | 2.870 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.080 | 0.920 |
Number of reflections | 9448 | |
<I/σ(I)> | 16.57 | 2.02 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 40% V/V ETHYLENE GLYCOL, 100 MM PHOSPHATE-CITRATE PH 4.2, 200 MM NH4SO4 |