1JCN
BINARY COMPLEX OF HUMAN TYPE-I INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2000-05-05 |
Detector | CUSTOM-MADE |
Spacegroup name | I 4 |
Unit cell lengths | 148.108, 148.108, 122.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.740 - 2.500 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CORE DOMAIN OF IMPDH MONOMER FROM HUMAN TYPE II/6-CL-IMP COMPLEX STRUCTURE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.740 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.093 | 0.366 |
Number of reflections | 44411 | |
<I/σ(I)> | 6.3 | 1.9 |
Completeness [%] | 97.7 | 93.7 |
Redundancy | 3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PROTEIN SOLUTION: 7MGS/ML PROTEIN, 50 MM TRIS HCL (PH 8.0), 50 MM KCL, 2MM EDTA, 1MM DTT, 5MM 6-CL-IMP. WELL SOLUTION: 9% (W/V) PEG-800, 100 MM TRIS HCL (PH 8.0), 1.0 M LICL, 24 MM BETAMERCAPTOETHANOL (2+2 MICROLITER DROPS), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K |