4IMN
Crystal structure of wild type human Lipocalin PGDS bound with PEG MME 2000
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 199 |
Detector technology | CCD |
Collection date | 2011-09-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97622 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.413, 56.413, 72.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.460 - 2.090 |
R-factor | 0.1709 |
Rwork | 0.169 |
R-free | 0.21168 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2czt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.630 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.460 | 2.160 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.073 | 0.345 |
Number of reflections | 8428 | |
<I/σ(I)> | 18.6 | 3.23 |
Completeness [%] | 94.6 | 94.7 |
Redundancy | 4.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M potassium thiocyanate, 30% PEG MME 2000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |