8EW4

Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.60394
Spacegroup name	C 1 2 1
Unit cell lengths	172.775, 38.503, 95.865
Unit cell angles	90.00, 103.55, 90.00

Refinement procedure

Resolution	37.560 - 2.400
R-factor	0.2061
Rwork	0.203
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wuw
RMSD bond length	0.003
RMSD bond angle	0.891
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	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.053	0.042	0.277
Rmeas	0.063	0.051	0.330
Rpim	0.034	0.027	0.177
Total number of observations	79931
Number of reflections	24101	1292	1129
<I/σ(I)>	14.1
Completeness [%]	97.2	97.7	93.5
Redundancy	3.3	3.4	3.2
CC(1/2)		0.994	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291.15	200 nL 22.5% PEG Smear Low, 10% isopropanol, 100 mM Tris, pH 7.4 + 200 nL 88 mg/mL albumin, saturated myristic acid, 50 mM sodium chloride, 25 mM Tris, pH 7.4. 400 nL 45% PEG Smear Low, 20 mM cobalt chloride added 6 hours prior to harvesting.