4WSH
Crystal structure of Probable Uroporphyrinogen decarboxylase (UPD) (URO-D) from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.760, 73.880, 141.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.489 - 1.950 |
| R-factor | 0.1605 |
| Rwork | 0.158 |
| R-free | 0.20130 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.045 | 0.019 | 0.557 |
| Rmeas | 0.051 | 0.022 | 0.627 |
| Total number of observations | 263809 | ||
| Number of reflections | 55710 | 679 | 4070 |
| <I/σ(I)> | 20.32 | 56.78 | 2.65 |
| Completeness [%] | 99.6 | 92 | 99.9 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | Microlytics , MCSG1 F10: 2M Ammonium sulphate, 100mM Tris/HCl pH 8.5; PsaeA.01152.a.B1.PS2161 at 32mg/ml; cryo: 25% in two steps; tray 257913f10, puck dxo7-1 |
