8EW7

Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.60311
Spacegroup name	C 1 2 1
Unit cell lengths	166.104, 38.301, 96.719
Unit cell angles	90.00, 105.04, 90.00

Refinement procedure

Resolution	37.280 - 3.300
R-factor	0.1927
Rwork	0.189
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wuw
RMSD bond length	0.003
RMSD bond angle	1.021
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.360
High resolution limit [Å]	3.300	8.930	3.300
Rmerge	0.123	0.046	0.564
Rmeas	0.134	0.050	0.614
Rpim	0.052	0.020	0.238
Total number of observations	61539
Number of reflections	9385	515	461
<I/σ(I)>	5
Completeness [%]	99.9	99.2	100
Redundancy	6.6	6.1	6.6
CC(1/2)		0.997	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291.15	200 nL 18% PEG3350, 50 mM Tris, pH 7.4 + 200 nL 50 mg/mL albumin, 50% saturated myristic acid, 50 mM sodium chloride, 25 mM Tris, pH 7.4. Addition of 40% PEG3350, 50 mM Tris, 20 mM cobalt (II) chloride 6 hours prior to harvesting.