2H3G
Structure of the Type III Pantothenate Kinase (CoaX) from Bacillus Anthracis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2006-02-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9798, 0.9800, 0.9500 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.852, 133.396, 41.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.180 - 2.000 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.25800 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.612 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | RESOLVE (2.06) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.470 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.330 |
Number of reflections | 26073 | |
<I/σ(I)> | 16 | 4.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | protein buffer: 10 mM Na HEPES pH 7.5, 10 mM KCl protein concentration: 22.5-25.0 mg/mL reservoir solution: 24-26% ethylene glycol reservoir volume: 0.5 mL drop volume: 2 + 2 uL or 4 + 4 uL, protein + reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | protein buffer: 10 mM Na HEPES pH 7.5, 10 mM KCl protein concentration: 22.5-25.0 mg/mL reservoir solution: 24-26% ethylene glycol reservoir volume: 0.5 mL drop volume: 2 + 2 uL or 4 + 4 uL, protein + reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | protein buffer: 10 mM Na HEPES pH 7.5, 10 mM KCl protein concentration: 22.5-25.0 mg/mL reservoir solution: 24-26% ethylene glycol reservoir volume: 0.5 mL drop volume: 2 + 2 uL or 4 + 4 uL, protein + reservoir, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |