4RN3
Crystal structure of a HAD-superfamily hydrolase, subfamily IA, variant 1 (GSU2069) from Geobacter sulfurreducens PCA at 2.15 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-19 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.469, 190.593, 40.866 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.958 - 2.150 |
R-factor | 0.1996 |
Rwork | 0.199 |
R-free | 0.21700 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.350 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 10, 2014 BUILT=20140307) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.958 | 39.960 | 2.230 |
High resolution limit [Å] | 2.150 | 4.610 | 2.150 |
Rmerge | 0.119 | 0.057 | 0.880 |
Number of reflections | 25747 | 2824 | 2594 |
<I/σ(I)> | 9.36 | 21.5 | 1.95 |
Completeness [%] | 99.7 | 99.3 | 99.5 |
Redundancy | 4.71 | 4.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 14.90% polyethylene glycol 3350 0.3570M magnesium chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |