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 |