2P5M
C-terminal domain hexamer of AhrC bound with L-arginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 117.014, 117.014, 68.927 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.110 - 1.950 |
R-factor | 0.187 |
Rwork | 0.182 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b4b Trimer of C-terminal domains from B. steareothermophilus |
RMSD bond length | 0.011 |
RMSD bond angle | 1.415 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.110 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.077 | 0.391 |
Number of reflections | 20787 | |
<I/σ(I)> | 32.4 | 6.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 16.7 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 277 | 28% PEG 400, 0.1M Tris-HCl, 0.2M magnesium chloride, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |