2NSJ
E. coli PurE H45Q mutant complexed with CAIR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-05 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 111.255, 111.255, 49.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 2.310 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ate |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.340 | 2.440 |
High resolution limit [Å] | 2.310 | 2.310 |
Number of reflections | 6763 | |
Completeness [%] | 95.8 | 86.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 25% PEG400, 0.2M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |