4EV0
Crystal Structure of Thermus thermophilus Catabolite Activator Protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.250, 94.842, 121.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.173 - 2.402 |
R-factor | 0.2028 |
Rwork | 0.200 |
R-free | 0.25550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Nterminal domain: composite model of pruned fragments from PDB entries 2pqq 3d0s 3h3u representing residues 21-102; C-terminal domain: pruned fragment from PDB entry 2zcw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.165 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.080 | 0.045 | 0.565 |
Number of reflections | 20242 | ||
<I/σ(I)> | 13.9 | ||
Completeness [%] | 93.9 | 99.3 | 50.6 |
Redundancy | 24.5 | 25.2 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Screening for crystallization used the Gryphon liquid handling system (Art Robbins Instruments). Crystals were grown using sitting drops (200 nL protein + 200 nL crystallization reagent) with 60 UL reservoirs of crystallization reagent in a 96-well high-throughput screen. Plate-shaped crystals were obtained at 20 degree C using Hampton Research NATRIX HT #38: 0.2 M ammonium acetate, 0.15 M magnesium acetate tetrahydrate, 5% (w/v) polyethylene glycol 4000, and 0.05 M HEPES sodium, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |