7Q4X

Crystal Structure of Equine Serum Albumin in Complex with Cefaclor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 61
Unit cell lengths	94.750, 94.750, 142.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.380 - 2.120
R-factor	0.1897
Rwork	0.187
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zbq
RMSD bond length	0.025
RMSD bond angle	2.525
Data reduction software	XDS (2.0)
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	2.490
High resolution limit [Å]	2.120	2.120
Number of reflections	41089	6556
<I/σ(I)>	22.27	1.47
Completeness [%]	99.8	99
Redundancy	13.81	13.97
CC(1/2)	1.000	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	Native ESA crystals grown in 2.0 M ammonium sulfate and 0.1 M acetate buffer at pH 5.0 soaked with cefaclor