2QJU
Crystal Structure of an NSS Homolog with Bound Antidepressant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Collection date | 2007-06-08 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.414, 86.763, 81.187 |
Unit cell angles | 90.00, 95.72, 90.00 |
Refinement procedure
Resolution | 38.220 - 2.900 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.22000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.900 |
Number of reflections | 12935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | PEG550 MME, NaCl, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |