4INF
Crystal structure of amidohydrolase saro_0799 (target efi-505250) from novosphingobium aromaticivorans dsm 12444 with bound calcium
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 | 2011-11-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.945, 61.024, 131.385 |
| Unit cell angles | 90.00, 103.35, 90.00 |
Refinement procedure
| Resolution | 49.310 - 1.480 |
| R-factor | 0.14286 |
| Rwork | 0.141 |
| R-free | 0.19008 |
| Structure solution method | MR |
| Starting model (for MR) | 2dvt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.426 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.870 | |
| Number of reflections | 239408 | |
| <I/σ(I)> | 6.7 | 1.3 |
| Completeness [%] | 97.7 | 99.2 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M HEPES-NAOH, 0.2M CALCIUM CHLORIDE, 30% PEG 4000 , pH 8.5 |
