3U9B
Structure of apo-CATI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 115.159, 102.743, 114.093 |
Unit cell angles | 90.00, 119.94, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.200 |
R-factor | 0.23823 |
Rwork | 0.235 |
R-free | 0.30090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.200 |
Number of reflections | 38065 |
Completeness [%] | 98.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 100 mM HEPES pH 7.5, 20% PEG 4000, isopropanol 10% v/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K |