5TZ5
Crystal Structure of CurK Dehydratase H996F Inactive Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.113, 94.567, 152.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.148 - 1.428 |
R-factor | 0.1884 |
Rwork | 0.187 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 3kg9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.271 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.150 | 1.479 |
High resolution limit [Å] | 1.428 | 1.428 |
Number of reflections | 100090 | |
<I/σ(I)> | 28.15 | 2.74 |
Completeness [%] | 97.0 | 87 |
Redundancy | 13 | 10.9 |
CC(1/2) | 1.000 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.3 M Tri-Sodium Citrate, 30mm D(+) sucrose, 100mm tris ph 8.5 |