4JCN
Structure of ESP, serine protease from Staphylococcus epidermidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-04-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.410, 60.360, 42.340 |
Unit cell angles | 90.00, 98.59, 90.00 |
Refinement procedure
Resolution | 41.860 - 1.800 |
R-factor | 0.17473 |
Rwork | 0.173 |
R-free | 0.19859 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qy6 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.051 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.870 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.039 | 0.201 |
Number of reflections | 17810 | |
<I/σ(I)> | 20.2 | 5.9 |
Completeness [%] | 97.4 | 95.1 |
Redundancy | 5.16 | 5.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |