4HPS
Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-09-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.060, 73.340, 80.540 |
| Unit cell angles | 90.00, 111.96, 90.00 |
Refinement procedure
| Resolution | 39.762 - 1.550 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gxh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.072 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.055 | 0.029 | 0.800 |
| Number of reflections | 115757 | ||
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 96.1 | 95.4 | 94 |
| Redundancy | 5.7 | 5.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.8 M Lithium Chloride, 0.1 M Tris:HCl, 32% (w/v) PEG 4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
