5VM1
Crystal structure of a xyloylose kinase from Brucella ovis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.660, 167.070, 117.830 |
Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
Resolution | 47.481 - 2.750 |
R-factor | 0.1691 |
Rwork | 0.166 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ifr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.481 | 47.481 | 2.820 |
High resolution limit [Å] | 2.750 | 12.300 | 2.750 |
Rmerge | 0.065 | 0.022 | 0.540 |
Rmeas | 0.077 | 0.026 | 0.647 |
Total number of observations | 163446 | ||
Number of reflections | 50090 | 543 | 3716 |
<I/σ(I)> | 15.21 | 45.41 | 2.42 |
Completeness [%] | 98.6 | 90 | 99.7 |
Redundancy | 3.263 | 3.064 | 3.253 |
CC(1/2) | 0.998 | 0.999 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | BrovA.00232.a.B1.PS02131 at 15.8 mg/mL against MCSG1 screen condition B3 0.2 M ammonium acetate, 0.1 M BisTris pH 5.5, 25% PEG3350 supplemented with 20% EG as cryo in 2 steps, unique puck ID zxp4-1, crystal tracking ID 257586b3 |