4EEK
Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) With bound phosphate and sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-22 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 55.537, 55.537, 273.094 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.100 - 1.600 |
| R-factor | 0.18836 |
| Rwork | 0.187 |
| R-free | 0.22479 |
| Structure solution method | MR |
| Starting model (for MR) | 2fdr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Number of reflections | 39048 | |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.7 | 95.7 |
| Redundancy | 22.4 | 18.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 0.1M SODIUM HYDROGEN PHOSPHATE, 0.1M CITRIC ACID, PH 4.2, 40% PEG 300, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
