4N3E
Crystal structure of Hyp-1, a St John's wort PR-10 protein, in complex with 8-anilino-1-naphthalene sulfonate (ANS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.290, 146.290, 298.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.870 - 2.430 |
R-factor | 0.22353 |
Rwork | 0.223 |
R-free | 0.27759 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ie5 |
RMSD bond length | 0.015 |
RMSD bond angle | 2.182 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.520 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.075 | 0.758 |
Number of reflections | 61810 | |
<I/σ(I)> | 26.435 | 2.64 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 8 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | HEPES 0.1 M, tribasic sodium citrate 1.3 M, glycerol 10% , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |