3EX2
human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.390, 61.660, 70.220 |
Unit cell angles | 90.00, 113.16, 90.00 |
Refinement procedure
Resolution | 44.590 - 1.550 |
R-factor | 0.1567 |
Rwork | 0.155 |
R-free | 0.18198 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.562 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | COMO |
Refinement software | REFMAC (5.5.0057) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.590 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 78429 | |
<I/σ(I)> | 13.2 | 2.4 |
Completeness [%] | 98.7 | 88.1 |
Redundancy | 3.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 300 | 0.1 M Tris-HCl pH 8.0, 1.8 M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 300.0K |