5DRX

Crystal structure of the BCR Fab fragment from subset #4 case CLL240

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9726
Spacegroup name	P 21 21 21
Unit cell lengths	86.187, 92.327, 135.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.163 - 2.104
R-factor	0.1953
Rwork	0.194
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CLL183 Fab fragment
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.230
High resolution limit [Å]	2.100	6.260	2.100
Rmerge	0.138	0.051	1.230
Rmeas	0.144	0.053	1.283
Total number of observations	837112
Number of reflections	63033	2600	9838
<I/σ(I)>	12.34	42.9	1.26
Completeness [%]	99.7	99.7	98.1
Redundancy	13.28		12.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	298	0.2 M BisTris, 8% (w/v) PEG 20000