3UMT

scFv12, Anti-BclA antibody single chain variable fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97931
Spacegroup name	P 31 2 1
Unit cell lengths	65.290, 65.290, 96.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.914 - 1.798
R-factor	0.1772
Rwork	0.175
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	VH domain from structure 1KTR VL domain from structure 1FGV
RMSD bond length	0.016
RMSD bond angle	1.627
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.830
High resolution limit [Å]	1.798	1.798
Rmerge	0.040	0.341
Number of reflections	22608
<I/σ(I)>	60	6.4
Completeness [%]	99.8	100
Redundancy	12	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	1M Sodium citrate, 0.1 M CHES pH9.5 diluted by water 4:1, VAPOR DIFFUSION, HANGING DROP, temperature 298K