5KVL

Humanized 10G4 anti-leukotriene C4 antibody Fab fragment in complex with leukotriene C4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97940
Spacegroup name	P 1 21 1
Unit cell lengths	51.880, 41.631, 93.126
Unit cell angles	90.00, 104.69, 90.00

Refinement procedure

Resolution	90.080 - 1.740
R-factor	0.19169
Rwork	0.190
R-free	0.22037
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i9g
RMSD bond length	0.006
RMSD bond angle	1.069
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.780
High resolution limit [Å]	1.740	1.750
Rmerge		0.105
Number of reflections	39552
<I/σ(I)>	17.8	10.9
Completeness [%]	99.9	99.5
Redundancy	3.7	3.2
CC(1/2)		0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.15 M zinc acetate dihydrate; 20% PEG 3350; microseeds (grown in 0.2 M ammonium sulfate; 0.1 M sodium cacodylate trihydrate pH 6.5; 30% PEG 8000)