5VJQ

Complex between HyHEL10 Fab fragment heavy chain mutant (I29F, S52T, Y53F) and Pekin duck egg lysozyme isoform I (DEL-I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	88.650, 132.660, 199.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 1.900
R-factor	0.1946
Rwork	0.193
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v8g 3d9a
RMSD bond length	0.012
RMSD bond angle	1.541
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.780	49.780	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.098	0.045	0.783
Rmeas	0.105	0.048	0.838
Rpim	0.035	0.017	0.286
Number of reflections	180881
<I/σ(I)>	12.6
Completeness [%]	98.0	96.5	94.6
Redundancy	8.2	8.6	8.1
CC(1/2)	0.998	0.998	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.75	293	100 mM sodium citrate (pH 4.75), 17 % (w/v) PEG3350