3C76

1.07 A crystal structure of L133V mutant of nitrophorin 4 from Rhodnius prolixus complexed with ammonia at PH 7.5

Replaces:  2ASZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-20
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	70.320, 42.847, 52.871
Unit cell angles	90.00, 94.26, 90.00

Refinement procedure

Resolution	19.800 - 1.070
R-factor	0.141
Rwork	0.139
R-free	0.16500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x8p
RMSD bond length	0.016
RMSD bond angle	1.743
Data scaling software	CrystalClear (V. 1.0)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.850	1.110
High resolution limit [Å]	1.070	1.070
Rmerge	0.060	0.300
Number of reflections	67479
<I/σ(I)>	15.4	4
Completeness [%]	97.5	98
Redundancy	7.12	6.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	AMMONIUM PHOSPHATE, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 300.0K