7A0T
Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.95 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.430, 79.790, 103.180 |
Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
Resolution | 49.000 - 2.000 |
R-factor | 0.1778 |
Rwork | 0.176 |
R-free | 0.20950 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.009 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.098 | 0.635 |
Rmeas | 0.110 | 0.741 |
Rpim | 0.048 | 0.373 |
Number of reflections | 55149 | 5469 |
<I/σ(I)> | 11.53 | |
Completeness [%] | 99.3 | 98.6 |
Redundancy | 5.1 | 3.5 |
CC(1/2) | 0.998 | 0.715 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | JCSG+ 2-31 (0.1 M Succinic acid, 15% w/v PEG 3350) |