3KYA
Crystal structure of Putative phosphatase (NP_812416.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.77 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-16 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97951 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.830, 124.623, 98.389 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.260 - 1.770 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19800 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.394 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.260 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.041 | 0.518 |
| Number of reflections | 56480 | |
| <I/σ(I)> | 12.04 | 1.7 |
| Completeness [%] | 98.1 | 95.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.36 | 277 | 0.2000M zinc acetate, 7.3000% polyethylene glycol 8000, 0.1M MES pH 6.36, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
