8EY5

Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3

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	185.966, 38.548, 93.409
Unit cell angles	90.00, 103.75, 90.00

Refinement procedure

Resolution	37.180 - 3.100
R-factor	0.2044
Rwork	0.202
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wuw
RMSD bond length	0.003
RMSD bond angle	0.966
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	3.150
High resolution limit [Å]	3.100	8.390	3.100
Rmerge	0.049	0.036	0.443
Rmeas	0.058	0.043	0.527
Rpim	0.031	0.023	0.282
Total number of observations	41552
Number of reflections	12191	677	609
<I/σ(I)>	13.5
Completeness [%]	98.1	99.6	99.5
Redundancy	3.4	3.3	3.4
CC(1/2)		0.993	0.843

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 with myristic acid, 50 mM sodium chloride, 25 mM Tris, pH 7.4. 400 nL 45% PEG Smear Low, 20 mM cobalt (II) chloride added 6 hours prior to harvesting