1EWP

CRUZAIN BOUND TO MOR-LEU-HPQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-10-26
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	43.511, 51.654, 45.259
Unit cell angles	90.00, 114.76, 90.00

Refinement procedure

Resolution	25.000 - 1.750
R-factor	0.1831
Rwork	0.183
R-free	0.20600
RMSD bond length	0.012
RMSD bond angle	2.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.049	0.110
Number of reflections	17715
<I/σ(I)>	10.8
Completeness [%]	95.7	88.7
Redundancy	2.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	0.8M NaCitrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K