7LJI
Structure of poly(aspartic acid) hydrolase PahZ2 with Gd+3 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11608 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.670, 147.870, 197.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.570 - 1.850 |
R-factor | 0.1457 |
Rwork | 0.145 |
R-free | 0.16180 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.209 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.570 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 244755 | 24036 |
<I/σ(I)> | 23.23 | 2.53 |
Completeness [%] | 94.5 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 15% PEG 3350, 0.1 M HEPES pH 6.5, and the silver bullets D4 (Hampton) cocktail (0.005M gadolinium(III) chloride hexahydrate, 0.005M samarium(III) chloride hexahydrate, 0.05M benzamidine hydrochloride, 0.25% w/v salicin, and 0.02M HEPES pH 6.8) |