3TAL
Crystal structure of NurA with manganese
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.803, 114.654, 121.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.478 - 3.150 |
R-factor | 0.225 |
Rwork | 0.218 |
R-free | 0.28530 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.296 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.7_650) |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 16937 | |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 21% PEG 400, 0.1M Tris-HCl , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |