4EEN
crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound magnesium
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 | 2012-02-03 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 55.456, 55.456, 274.172 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.030 - 1.650 |
| R-factor | 0.20309 |
| Rwork | 0.202 |
| R-free | 0.23507 |
| Structure solution method | MR |
| Starting model (for MR) | 4eek |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.487 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 31336 | |
| <I/σ(I)> | 8 | 3 |
| Completeness [%] | 98.4 | 96 |
| Redundancy | 16.2 | 18.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1M BIS-TRIS, PH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
