4HV7

Structure of ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	68.196, 68.196, 140.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 1.869
R-factor	0.2039
Rwork	0.202
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtc
RMSD bond length	0.007
RMSD bond angle	0.951
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.869	1.890
Rmerge	0.131	0.630
Number of reflections	27776
<I/σ(I)>	6.3	2.2
Completeness [%]	100.0	100
Redundancy	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	1.3 M ammonium sulfate, 0.1 M sodium malonate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K