5CP7

Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	93
Detector technology	CCD
Collection date	2014-01-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979150
Spacegroup name	P 21 21 2
Unit cell lengths	176.103, 96.510, 138.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 3.010
R-factor	0.2626
Rwork	0.260
R-free	0.30190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nld
RMSD bond length	0.005
RMSD bond angle	0.999
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.110
High resolution limit [Å]	3.000	6.440	3.000
Rmerge	0.132	0.044	0.564
Total number of observations	215824
Number of reflections	46968
<I/σ(I)>	6.3
Completeness [%]	99.6	99.1	99.7
Redundancy	4.6	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M ammonium phosphate dibasic, 20% PEG3350