6CV6
Crystal structure of 3-dehydroquinate dehydratase, type II, from Burkholderia phymatum STM815
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.033171 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 152.390, 152.390, 177.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.515 - 2.600 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uqr selected by Morda |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX ((dev_3063)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.515 | 46.515 | 2.670 |
High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
Rmerge | 0.114 | 0.028 | 0.536 |
Rmeas | 0.123 | 0.030 | 0.576 |
Number of reflections | 64793 | 813 | 4736 |
<I/σ(I)> | 17.11 | 52.37 | 4.01 |
Completeness [%] | 99.8 | 93.9 | 100 |
Redundancy | 7.326 | 6.394 | 7.345 |
CC(1/2) | 0.997 | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Qiagen JCSG Core screen 1: 20% PEG 3350, 200mM Sodium tartrate; BuphA.00086.c.A1.PS01351 at 20.45mg/ml: cryo: 20% EG: tray 230470b7: puck HXC6-14 |