2PNK
CRYSTAL STRUCTURE OF AN URONATE ISOMERASE (BH0493) FROM BACILLUS HALODURANS C-125 AT 2.00 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97935 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 273.720, 158.560, 181.240 |
| Unit cell angles | 90.00, 116.03, 90.00 |
Refinement procedure
| Resolution | 48.564 - 2.000 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT, MAD |
| Starting model (for MR) | 1j5s |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.388 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.564 | 48.560 | 2.110 |
| High resolution limit [Å] | 2.000 | 4.210 | 2.000 |
| Rmerge | 0.072 | 0.035 | 0.442 |
| Number of reflections | 437594 | ||
| <I/σ(I)> | 9.33 | 21.7 | 2.39 |
| Completeness [%] | 93.7 | 96.1 | 72.2 |
| Redundancy | 2.83 | 2.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.33 | 277 | NANODROP, 7.5% PEG 8000, 36.0% 2-methyl-2,4-pentanediol, 0.1M Sodium cacodylate pH 6.33, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
