6WRR
CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AND LITHIUM AT 2.5 ANGSTROM RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 296 |
Detector technology | AREA DETECTOR |
Collection date | 1992-07-10 |
Detector | UCSD MARK II |
Wavelength(s) | 1.542 |
Spacegroup name | P 41 |
Unit cell lengths | 51.640, 51.640, 143.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.450 - 2.500 |
R-factor | 0.16537 |
Rwork | 0.163 |
R-free | 0.20497 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1inp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.056 |
Data reduction software | UCSD-system |
Data scaling software | UCSD-system |
Phasing software | SQUASH |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.450 | 2.690 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 26197 | 2250 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 96.0 | 95.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 13% PEG8000, 200mM Li2SO4 and 100mM Tris, pH 6.3. Upon reaching maximum size after ~5 days, a Gd3+ heavy atom derivative was prepared by adding 0.5uL of 17.5mM Gd2(SO4)3 in reservoir solution to 3uL hanging drops (2.5mM final Gd3+) containing native crystals for 48 hours |