6IHK

Structure of MMPA CoA ligase in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	63.424, 121.193, 73.559
Unit cell angles	90.00, 93.68, 90.00

Refinement procedure

Resolution	46.480 - 2.230
R-factor	0.1755
Rwork	0.173
R-free	0.22290
RMSD bond length	0.008
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.480	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.110	0.337
Number of reflections	53256	4732
<I/σ(I)>	18.41
Completeness [%]	99.6
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Bis-Tris propane, PEG 3350, Sodium formate