1QQS

NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN HOMODIMER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	1998-06-25
Detector	RIGAKU RAXIS
Spacegroup name	P 41 21 2
Unit cell lengths	54.290, 54.290, 121.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.216 *
Rwork	0.219
R-free	0.28500 *
RMSD bond length	0.008 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.052	0.109 *
Number of reflections	6872 *
<I/σ(I)>	10.8
Completeness [%]	88.1 *	38.7
Redundancy	6.48	1.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5	18 *	14 % W/W PEG 8K 15% V/V GLYCEROL 50MM ACETATE, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	18-22 (%(w/w))
3	1	reservoir	glycerol	15 (%(v/v))
4	1	reservoir	sodium acetate	100 (mM)