6A9K

Crystal structure of the complex of the hydrolytic antibody Fab 9C10 with a transition-state analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	90.986, 36.553, 111.986
Unit cell angles	90.00, 91.50, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.197
Rwork	0.194
R-free	0.24929
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dtm
RMSD bond length	0.017
RMSD bond angle	1.818
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.155	0.921
Rmeas	0.167	1.005
Rpim	0.063	0.397
Number of reflections	59706	3012
<I/σ(I)>	10.9	2.8
Completeness [%]	100.0	100
Redundancy	6.9	6.3
CC(1/2)		0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	50 mM Tris-HCl, 25% PEG 3350, 0.1 mM EDTA, pH8.3