4I1N

R104A-ca1697 nanobody binding to the binary DHFR.folate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54180
Spacegroup name	P 21 21 21
Unit cell lengths	49.267, 55.642, 119.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.596 - 1.888
R-factor	0.1793
Rwork	0.177
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.103
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.888	1.900
Number of reflections	26266
Completeness [%]	98.0	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% v/v PEG 200, 5% w/v PEG 3000, 100mM MES Sodium Salt, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K