4HKP
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-29 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.290, 61.775, 70.523 |
Unit cell angles | 90.00, 112.90, 90.00 |
Refinement procedure
Resolution | 64.970 - 1.750 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.592 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.041 | 0.022 | 0.248 |
Number of reflections | 53546 | ||
<I/σ(I)> | 16.8 | ||
Completeness [%] | 96.4 | 98.2 | 92.7 |
Redundancy | 4 | 4.1 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.6M-1.7M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |