6VRT

LT1009 humanized antibody Fab fragment in complex with calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-14
Detector	NOIR-1
Wavelength(s)	1.00008
Spacegroup name	I 2 2 2
Unit cell lengths	87.802, 114.408, 133.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.231 - 2.555
R-factor	0.2114
Rwork	0.209
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i9g
RMSD bond length	0.012
RMSD bond angle	1.142
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.14-3260-000))
Refinement software	PHENIX ((1.14-3260-000))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Number of reflections	22135	1206	1107
<I/σ(I)>	23.6
Completeness [%]	100.0	99.7	100
Redundancy	7.3	6.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1 uL 12 mg/mL Fab + 1 uL 0.1 M HEPES sodium, pH 7.5, 1.5 M lithium sulfate monohydrate, 10 mM calcium chloride