2B6C
Predicted DNA alkylation repair enzyme from Enterococcus faecalis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 |
Unit cell lengths | 155.714, 155.714, 46.287 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.16001 |
Rwork | 0.158 |
R-free | 0.20164 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.468 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.154 | 0.499 |
Number of reflections | 36311 | |
<I/σ(I)> | 18 | 2.25 |
Completeness [%] | 96.1 | 73.8 |
Redundancy | 15.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M bis-tris, 2 M ammonium sulfate , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |