3WUR

Structure of DMP19 Complex with 18-crown-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-10
Detector	ADSC QUANTUM 210
Spacegroup name	P 41 21 2
Unit cell lengths	67.100, 67.100, 176.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 1.450
R-factor	0.17
Rwork	0.169
R-free	0.20400
Structure solution method	SAD
RMSD bond length	0.033
RMSD bond angle	3.025
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.450
Rmerge	0.041
Number of reflections	71243
<I/σ(I)>	58.4
Completeness [%]	98.0
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	298	0.2M Potassium sodium tartrate, 0.1M Na citrate, 1.6M Ammonium sulfate , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K