5K95
Crystal Structure of GTP Cyclohydrolase-IB with 8-oxo-GTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2009-06-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.876, 100.557, 115.041 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.070 - 2.770 |
R-factor | 0.18012 |
Rwork | 0.175 |
R-free | 0.27680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3D1T |
RMSD bond length | 0.010 |
RMSD bond angle | 1.474 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.070 | 2.900 |
High resolution limit [Å] | 2.770 | 2.800 |
Rmerge | 0.058 | 0.623 |
Number of reflections | 13898 | |
<I/σ(I)> | 10.4 | 1.833 |
Completeness [%] | 99.7 | |
Redundancy | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 10-16% polyethylene glycol 6000, 0.6-1.4 M LiCl, 60 mM HEPES pH 8.2, 40 mM HEPES |