1RQD
deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 1999-06-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 104.780, 104.780, 159.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 3.000 |
R-factor | 0.1974 |
Rwork | 0.196 |
R-free | 0.23210 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1roz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 20171 | |
<I/σ(I)> | 9.1 | |
Completeness [%] | 96.3 | 92.5 |
Redundancy | 3.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Tris-HCl, KCl, NAD, 2-methyl-2,4-pentanediol,1-guanidinium-7-aminoheptane, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |