2G0A
X-ray structure of mouse pyrimidine 5'-nucleotidase type 1 with lead(II) bound in active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-27 |
Detector | BRUKER PROTEUM-R |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 |
Unit cell lengths | 134.549, 134.549, 39.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.270 - 2.350 |
R-factor | 0.153 |
Rwork | 0.149 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bdu |
RMSD bond length | 0.017 |
RMSD bond angle | 1.507 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.270 | 67.270 | 2.400 |
High resolution limit [Å] | 2.350 | 6.350 | 2.350 |
Rmerge | 0.096 | 0.059 | 0.530 |
Number of reflections | 33118 | ||
<I/σ(I)> | 26.05 | 68.25 | 3.45 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 24.19 | 42.97 | 6.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.005 M BIS TRIS, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, PH 6.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (20-25% PEG 8K, 0.10 M PIPES PH 6.5) CRYSTALS SOAKED FOR 5 MINUTES IN WELL SOLUTION WITH 0.001 M Lead(II) Acetate, vapor diffusion, hanging drop, temperature 277K |