7KEZ

Crystal structure of bH1 Fab variant (CDR H3 loop design 16_0325) in complex with VEGF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-17
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	100.799, 193.839, 76.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.920 - 2.310
R-factor	0.1806
Rwork	0.178
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdy
RMSD bond length	0.017
RMSD bond angle	1.793
Data reduction software	iMOSFLM
Data scaling software	SCALA (0.6.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.920	48.460	2.390
High resolution limit [Å]	2.310	8.950	2.310
Rmerge	0.087	0.048	0.946
Rmeas	0.095	0.052	1.023
Rpim	0.036	0.020	0.386
Total number of observations		3917	22411
Number of reflections	33259	644	3213
<I/σ(I)>	12.5	30	2.4
Completeness [%]	100.0	99.4	99.9
Redundancy	6.8	6.1	7
CC(1/2)	0.998	0.998	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	295	0.1 M HEPES pH 7.5, 20 %(w/v) PEG 4000, 10 %(w/v) Isopropanol