7QAJ

ZK002 with Anti-angiogenic and Anti-inflamamtory Properties

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-03-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5417
Spacegroup name	P 1 2 1
Unit cell lengths	103.160, 54.290, 107.640
Unit cell angles	90.00, 100.56, 90.00

Refinement procedure

Resolution	24.450 - 2.100
R-factor	0.2
Rwork	0.198
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wt9
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.450	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	68733	6489
<I/σ(I)>	41.05
Completeness [%]	98.1	94.8
Redundancy	10.7	5.19
CC(1/2)	0.750	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.2M (NH4)2SO4 0.1M Bis Tris pH=6 20% PEG 3350