30IG

EVAL processed HEWL, N-acetylglucosamine

Replaces:  4DDA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54184
Spacegroup name	P 43 21 2
Unit cell lengths	78.392, 78.392, 36.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.606 - 2.000
Rwork	0.204
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.964
Data scaling software	EVAL15
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.123))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.606	2.071
High resolution limit [Å]	2.000	2.000
Rmeas	0.253	2.040
Rpim	0.073	0.569
Number of reflections	7468	796
<I/σ(I)>	8.15	1.14
Completeness [%]	91.5	91.5
Redundancy	12.46	12.76
CC(1/2)	0.996	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.7	295	HEWL CO-CRYSTALLIZED WITH 150 MM EXCESS N-ACETYLGLUCOSAMINE IN 1 ML 0.05 M SODIUM ACETATE AND 1 ML 10% SODIUM CHLORIDE, PH 4.7, BATCH, TEMPERATURE 295K