3S2R
ATChloroNEET (H87C mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-01 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.290, 54.105, 72.682 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.420 - 1.140 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s2q |
RMSD bond length | 0.015 |
RMSD bond angle | 2.012 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.000 |
Number of reflections | 43972 |
Completeness [%] | 91.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 100mM NaCl, 20mM Tris (pH 8.0), 0.02% NaN3, LIQUID DIFFUSION, temperature 293K |