3FQ3
Crystal structure of inorganic phosphatase from brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-13 |
| Detector | NOIR-1 |
| Spacegroup name | P 41 |
| Unit cell lengths | 157.830, 157.830, 106.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.900 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d53 as hexamer sidechains trimmed with chainsaw |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.637 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.475 |
| Number of reflections | 204646 | |
| <I/σ(I)> | 22.57 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | HAMPTON SALT RX SCREEN E9: 1.8M K2HPO4/NAH2PO4 PH 6.9, PH 5.5, VAPOR DIFFUSION, TEMPERATURE 290K, VAPOR DIFFUSION, SITTING DROP |
