2B1G
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2004-04-07 |
Detector | ADSC |
Wavelength(s) | 1.1271 |
Spacegroup name | P 1 |
Unit cell lengths | 57.200, 62.000, 196.600 |
Unit cell angles | 80.80, 81.50, 90.00 |
Refinement procedure
Resolution | 41.890 - 2.100 |
R-factor | 0.243 |
Rwork | 0.199 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g8m |
RMSD bond length | 0.012 |
RMSD bond angle | 1.334 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 118497 | |
<I/σ(I)> | 11.4 | 1.3 |
Completeness [%] | 83.6 | 42.2 |
Redundancy | 1.6 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 295 | PEG 8000, imidazole, DTT, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |