1KFA

Crystal structure of Fab fragment complexed with gibberellin A4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	118.076, 150.146, 106.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.620 - 2.800
R-factor	0.261
Rwork	0.235
R-free	0.29600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ikf
RMSD bond length	0.007
RMSD bond angle	26.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.620	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.082	0.321
Total number of observations	402565 *
Number of reflections	26460 *
<I/σ(I)>	7.3	2.3
Completeness [%]	100.0	100 *
Redundancy	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	30 *	PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	glycerol	20 (%(v/v))
2	1	reservoir	PEG3350	12 (%(w/v))
3	1	reservoir	Bis-Tris-HCl	0.06 (M)	pH6.5
4	1	drop	protein	8 (mg/ml)