4NY1
X-ray structure of the unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.7 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-08 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5419 |
Spacegroup name | H 3 |
Unit cell lengths | 150.742, 150.742, 46.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.686 - 1.700 |
R-factor | 0.1631 |
Rwork | 0.162 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.010 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.400 | 1.920 | 1.730 |
High resolution limit [Å] | 1.700 | 1.870 | 1.700 |
Rmerge | 0.058 | 0.137 | 0.335 |
Number of reflections | 42114 | ||
<I/σ(I)> | 9.29 | 3.9 | 1.64 |
Completeness [%] | 97.6 | 99.4 | 94.5 |
Redundancy | 1.89 | 1.73 | 1.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 1M Tris, 5% w/v PGA-LM, 20% w/v PEG 2000 MME, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |